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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1 – 15 of 169 results

Diethyl (3-chloropropyl)malonate, 98%

CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	140413
CAS	18719-43-2
Molecular Weight (g/mol)	236.692
MDL Number	MFCD00009169
SMILES	CCOC(=O)C(CCCCl)C(=O)OCC
Synonym	diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate
IUPAC Name	diethyl 2-(3-chloropropyl)propanedioate
InChI Key	WUOPYKKJFZHTRA-UHFFFAOYSA-N
Molecular Formula	C10H17ClO4

tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

Pricing and Availability
Specifications

PubChem CID	545853
CAS	40052-13-9
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00191886
SMILES	CC(C)(C)OC(=O)CC(=O)O
Synonym	3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester
IUPAC Name	3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI Key	NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Benzyl tert-butyl malonate, 95%

CAS: 72594-86-6 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD01075175 InChI Key: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonym: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n PubChem CID: 2736712 IUPAC Name: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	2736712
CAS	72594-86-6
Molecular Weight (g/mol)	250.294
MDL Number	MFCD01075175
SMILES	CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
Synonym	benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n
IUPAC Name	1-O-benzyl 3-O-tert-butyl propanedioate
InChI Key	XKXXXODAXXAFNP-UHFFFAOYSA-N
Molecular Formula	C14H18O4

Methyl potassium malonate, 98%

CAS: 38330-80-2 Molecular Formula: C4H5KO4 Molecular Weight (g/mol): 156.178 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]

Pricing and Availability
Specifications

PubChem CID	2724687
CAS	38330-80-2
Molecular Weight (g/mol)	156.178
MDL Number	MFCD00014021
SMILES	COC(=O)CC(=O)[O-].[K+]
Synonym	potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d
IUPAC Name	potassium;3-methoxy-3-oxopropanoate
InChI Key	WWTULTKUWBKVGV-UHFFFAOYSA-M
Molecular Formula	C4H5KO4

Diethyl 2-(2-cyanoethyl)malonate, 98+%

CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	87005
CAS	17216-62-5
Molecular Weight (g/mol)	213.233
MDL Number	MFCD00001966
SMILES	CCOC(=O)C(CCC#N)C(=O)OCC
IUPAC Name	diethyl 2-(2-cyanoethyl)propanedioate
InChI Key	YJJLOESDBPRZIP-UHFFFAOYSA-N
Molecular Formula	C10H15NO4

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Pricing and Availability
Specifications

PubChem CID	701
CAS	609-14-3
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009164
SMILES	CCOC(=O)C(C)C(=O)C
Synonym	ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name	ethyl 2-methyl-3-oxobutanoate
InChI Key	FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula	C7H12O3

Diethyl methylmalonate, 99%

CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	11857
CAS	609-08-5
Molecular Weight (g/mol)	174.196
MDL Number	MFCD00009162
SMILES	CCOC(=O)C(C)C(=O)OCC
Synonym	diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl
IUPAC Name	diethyl 2-methylpropanedioate
InChI Key	UPQZOUHVTJNGFK-UHFFFAOYSA-N
Molecular Formula	C8H14O4

Ethyl butyrylacetate, 98%

CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

Pricing and Availability
Specifications

PubChem CID	238498
CAS	3249-68-1
Molecular Weight (g/mol)	158.20
ChEBI	CHEBI:18119
MDL Number	MFCD00009401
SMILES	CCCC(=O)CC(=O)OCC
Synonym	ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683
IUPAC Name	ethyl 3-oxohexanoate
InChI Key	KQWWVLVLVYYYDT-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Ethyl propionylacetate, 98%

CAS: 4949-44-4 Molecular Formula: C₇H₁₂O₃ Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Pricing and Availability
Specifications

PubChem CID	78656
CAS	4949-44-4
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009317
SMILES	CCC(=O)CC(=O)OCC
Synonym	ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate
IUPAC Name	ethyl 3-oxopentanoate
InChI Key	UDRCONFHWYGWFI-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₃

Methyl 2-cyclopentanonecarboxylate, 96%

CAS: 10472-24-9 Molecular Formula: C₇H₁₀O₃ Molecular Weight (g/mol): 142.15 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)	142.15
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

Ethyl hydrogen malonate, 90+%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

Pricing and Availability
Specifications

PubChem CID	70615
CAS	1071-46-1
Molecular Weight (g/mol)	132.115
ChEBI	CHEBI:86907
MDL Number	MFCD00020490
SMILES	CCOC(=O)CC(=O)O
Synonym	ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate
IUPAC Name	3-ethoxy-3-oxopropanoic acid
InChI Key	HGINADPHJQTSKN-UHFFFAOYSA-N
Molecular Formula	C5H8O4

Diethyl tert-butylmalonate, 96%

CAS: 759-24-0 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009152 InChI Key: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonym: diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate PubChem CID: 69798 IUPAC Name: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

Pricing and Availability
Specifications

PubChem CID	69798
CAS	759-24-0
Molecular Weight (g/mol)	216.28
MDL Number	MFCD00009152
SMILES	CCOC(=O)C(C(=O)OCC)C(C)(C)C
Synonym	diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate
IUPAC Name	diethyl 2-tert-butylpropanedioate
InChI Key	RJNICNBRGVKNSR-UHFFFAOYSA-N
Molecular Formula	C11H20O4

Dimethyl isobutylmalonate, 98%, Thermo Scientific™

CAS: 39520-24-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00015640 InChI Key: GAZFDPSEEIVCEX-UHFFFAOYSA-N Synonym: dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate PubChem CID: 170218 IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate SMILES: COC(=O)C(CC(C)C)C(=O)OC

Pricing and Availability
Specifications

PubChem CID	170218
CAS	39520-24-6
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00015640
SMILES	COC(=O)C(CC(C)C)C(=O)OC
Synonym	dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate
IUPAC Name	dimethyl 2-(2-methylpropyl)propanedioate
InChI Key	GAZFDPSEEIVCEX-UHFFFAOYSA-N
Molecular Formula	C9H16O4

Diethyl ethylmalonate, 99%

CAS: 133-13-1 Molecular Formula: C₉H₁₆O₄ Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	8610
CAS	133-13-1
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00009167
SMILES	CCC(C(=O)OCC)C(=O)OCC
Synonym	diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate
IUPAC Name	diethyl 2-ethylpropanedioate
InChI Key	VQAZCUCWHIIFGE-UHFFFAOYSA-N
Molecular Formula	C₉H₁₆O₄

Ethyl 2-oxocyclohexanecarboxylate, 95%

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

Pricing and Availability
Specifications

PubChem CID	95543
CAS	1655-07-8
Molecular Weight (g/mol)	170.21
MDL Number	MFCD00001631
SMILES	CCOC(=O)C1CCCCC1=O
Synonym	ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate
IUPAC Name	ethyl 2-oxocyclohexane-1-carboxylate
InChI Key	FGSGHBPKHFDJOP-UHFFFAOYNA-N
Molecular Formula	C9H14O3

Dicarbonyl Compounds

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