Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).

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Isopropylmalonic acid, 98+%

CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid PubChem CID: 69037 IUPAC Name: 2-propan-2-ylpropanedioic acid SMILES: CC(C)C(C(O)=O)C(O)=O

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Specifications

PubChem CID	69037
CAS	601-79-6
Molecular Weight (g/mol)	146.14
MDL Number	MFCD00021717
SMILES	CC(C)C(C(O)=O)C(O)=O
Synonym	isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid
IUPAC Name	2-propan-2-ylpropanedioic acid
InChI Key	DQEUFPARIOFOAI-UHFFFAOYSA-N
Molecular Formula	C6H10O4

Malonic acid, Reagent Grade, 99.5+%

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

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Specifications

PubChem CID	867
CAS	141-82-2
Molecular Weight (g/mol)	104.061
ChEBI	CHEBI:30794
MDL Number	MFCD00002707
SMILES	C(C(=O)O)C(=O)O
Synonym	malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
IUPAC Name	propanedioic acid
InChI Key	OFOBLEOULBTSOW-UHFFFAOYSA-N
Molecular Formula	C3H4O4

Diethyl phenylmalonate, 98%, Thermo Scientific Chemicals

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	66514
CAS	83-13-6
Molecular Weight (g/mol)	236.267
MDL Number	MFCD00009144
SMILES	CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
Synonym	diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate
IUPAC Name	diethyl 2-phenylpropanedioate
InChI Key	FGYDHYCFHBSNPE-UHFFFAOYSA-N
Molecular Formula	C13H16O4

Diethyl 1,3-acetonedicarboxylate, 95%

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Pricing and Availability
Specifications

PubChem CID	66045
CAS	105-50-0
Molecular Weight (g/mol)	202.21
MDL Number	MFCD00009200
SMILES	CCOC(=O)CC(=O)CC(=O)OCC
Synonym	diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester
IUPAC Name	diethyl 3-oxopentanedioate
InChI Key	ZSANYRMTSBBUCA-UHFFFAOYSA-N
Molecular Formula	C9H14O5

Methyl 2-oxocyclopentanecarboxylate, 97%

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

Pricing and Availability
Specifications

PubChem CID	66328
CAS	10472-24-9
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00001411
SMILES	COC(=O)C1CCCC1=O
Synonym	methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane
IUPAC Name	methyl 2-oxocyclopentane-1-carboxylate
InChI Key	PZBBESSUKAHBHD-UHFFFAOYSA-N
Molecular Formula	C7H10O3

N,N-Diethylacetoacetamide, 97%

CAS: 2235-46-3 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00026728 InChI Key: NTMXFHGYWJIAAE-UHFFFAOYSA-N Synonym: n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech PubChem CID: 16699 IUPAC Name: N,N-diethyl-3-oxobutanamide SMILES: CCN(CC)C(=O)CC(=O)C

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Specifications

PubChem CID	16699
CAS	2235-46-3
Molecular Weight (g/mol)	157.213
MDL Number	MFCD00026728
SMILES	CCN(CC)C(=O)CC(=O)C
Synonym	n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech
IUPAC Name	N,N-diethyl-3-oxobutanamide
InChI Key	NTMXFHGYWJIAAE-UHFFFAOYSA-N
Molecular Formula	C8H15NO2

Dimethyl malonate, 99+%

CAS: 108-59-8 Molecular Formula: C₅H₈O₄ Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

Pricing and Availability
Specifications

PubChem CID	7943
CAS	108-59-8
Molecular Weight (g/mol)	132.12
MDL Number	MFCD00008460
SMILES	COC(=O)CC(=O)OC
Synonym	dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester
IUPAC Name	dimethyl propanedioate
InChI Key	BEPAFCGSDWSTEL-UHFFFAOYSA-N
Molecular Formula	C₅H₈O₄

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

Pricing and Availability
Specifications

PubChem CID	15538
CAS	1694-31-1
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00008811
SMILES	CC(=O)CC(=O)OC(C)(C)C
Synonym	tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
IUPAC Name	tert-butyl 3-oxobutanoate
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Ethyl 2-oxocyclopentanecarboxylate, 97+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

Pricing and Availability
Specifications

PubChem CID	69136
CAS	611-10-9
Molecular Weight (g/mol)	156.181
MDL Number	MFCD00001412
SMILES	CCOC(=O)C1CCCC1=O
Synonym	ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate
IUPAC Name	ethyl 2-oxocyclopentane-1-carboxylate
InChI Key	JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula	C8H12O3

2-(4-Pyridyl)malondialdehyde, 95%

CAS: 51076-46-1 Molecular Formula: C₈H₇NO₂ Molecular Weight (g/mol): 149.15 MDL Number: MFCD00216535 InChI Key: RYYVVCNGQOENKM-UHFFFAOYSA-N Synonym: 2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial PubChem CID: 2737246 IUPAC Name: 2-pyridin-4-ylpropanedial SMILES: C1=CN=CC=C1C(C=O)C=O

Pricing and Availability
Specifications

PubChem CID	2737246
CAS	51076-46-1
Molecular Weight (g/mol)	149.15
MDL Number	MFCD00216535
SMILES	C1=CN=CC=C1C(C=O)C=O
Synonym	2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial
IUPAC Name	2-pyridin-4-ylpropanedial
InChI Key	RYYVVCNGQOENKM-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₂

Ethyl 2-ethylacetoacetate, 95%

CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	79065
CAS	607-97-6
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00039898
SMILES	CCC(C(=O)C)C(=O)OCC
Synonym	ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate
IUPAC Name	ethyl 2-ethyl-3-oxobutanoate
InChI Key	OKANYBNORCUPKZ-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Ethyl potassium malonate, 98%

CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

Pricing and Availability
Specifications

PubChem CID	3446434
CAS	6148-64-7
Molecular Weight (g/mol)	170.205
MDL Number	MFCD00035603
SMILES	CCOC(=O)CC(=O)[O-].[K+]
Synonym	ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate
IUPAC Name	potassium;3-ethoxy-3-oxopropanoate
InChI Key	WVUCPRGADMCTBN-UHFFFAOYSA-M
Molecular Formula	C5H7KO4

tert-Butyl ethyl malonate, 95%

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

Pricing and Availability
Specifications

PubChem CID	96345
CAS	32864-38-3
Molecular Weight (g/mol)	188.223
MDL Number	MFCD00009193
SMILES	CCOC(=O)CC(=O)OC(C)(C)C
Synonym	tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate
IUPAC Name	3-O-tert-butyl 1-O-ethyl propanedioate
InChI Key	OCOBFMZGRJOSOU-UHFFFAOYSA-N
Molecular Formula	C9H16O4

Diethyl allylmalonate, 96%

CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	74900
CAS	2049-80-1
Molecular Weight (g/mol)	200.234
MDL Number	MFCD00009155
SMILES	CCOC(=O)C(CC=C)C(=O)OCC
Synonym	diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid
IUPAC Name	diethyl 2-prop-2-enylpropanedioate
InChI Key	GDWAYKGILJJNBB-UHFFFAOYSA-N
Molecular Formula	C10H16O4

Diethyl malonate, 99%

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

Pricing and Availability
Specifications

PubChem CID	7761
CAS	105-53-3
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00009195
SMILES	CCOC(=O)CC(=O)OCC
Synonym	diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name	diethyl propanedioate
InChI Key	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Dicarbonyl Compounds

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