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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
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1

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 38002-88-9 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD04115387 InChI Key: HGKYVFOYQUSRQN-UHFFFAOYSA-N Synonym: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde PubChem CID: 2795471 SMILES: CC1(C)CC2=CC=CC(C=O)=C2O1

PubChem CID 2795471
CAS 38002-88-9
Molecular Weight (g/mol) 176.22
MDL Number MFCD04115387
SMILES CC1(C)CC2=CC=CC(C=O)=C2O1
Synonym 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde
InChI Key HGKYVFOYQUSRQN-UHFFFAOYSA-N
Molecular Formula C11H12O2
2
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D-(+)-Maltose Monohydrate, Fisher BioReagents

CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H24O12
3

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

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
4

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

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
5

Benzyl acetoacetate, 97%

CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 142266
CAS 5396-89-4
Molecular Weight (g/mol) 192.214
MDL Number MFCD00008785
SMILES CC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x
IUPAC Name benzyl 3-oxobutanoate
InChI Key WOFAGNLBCJWEOE-UHFFFAOYSA-N
Molecular Formula C11H12O3
6

Diethyl phenylmalonate, 98%

CAS: 83-13-6 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

PubChem CID 66514
CAS 83-13-6
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
7

2-Bromomalonaldehyde, 97+%

CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.95 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br

PubChem CID 74945
CAS 2065-75-0
Molecular Weight (g/mol) 150.95
SMILES C(=O)C(C=O)Br
Synonym 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde
IUPAC Name 2-bromopropanedial
InChI Key SURMYNZXHKLDFO-UHFFFAOYSA-N
Molecular Formula C3H3BrO2
8

Acetoacetamide, 97%

CAS: 5977-14-0 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N

PubChem CID 80077
CAS 5977-14-0
ChEBI CHEBI:28515
SMILES CC(=O)CC(=O)N
Synonym acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9
IUPAC Name 3-oxobutanamide
InChI Key GCPWJFKTWGFEHH-UHFFFAOYSA-N
9

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

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
10

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

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
11

Methylmalonic acid, 96%

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O

PubChem CID 487
CAS 516-05-2
Molecular Weight (g/mol) 118.09
ChEBI CHEBI:30860
MDL Number MFCD00002656
SMILES CC(C(O)=O)C(O)=O
Synonym methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7
IUPAC Name 2-methylpropanedioic acid
InChI Key ZIYVHBGGAOATLY-UHFFFAOYSA-N
Molecular Formula C4H6O4
12

Ethyl malonyl chloride, 95%

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O

PubChem CID 118931
CAS 36239-09-5
Molecular Weight (g/mol) 150.56
MDL Number MFCD00000736
SMILES CCOC(=O)CC(Cl)=O
Synonym ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester
IUPAC Name ethyl 3-chloro-3-oxopropanoate
InChI Key KWFADUNOPOSMIJ-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
13

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

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
14

Malonic acid dihydrazide, 99%

CAS: 3815-86-9 Molecular Formula: C3H8N4O2 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00041268 InChI Key: PSIKPHJLTVSQFO-UHFFFAOYSA-N Synonym: malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine PubChem CID: 77433 IUPAC Name: propanedihydrazide SMILES: NNC(=O)CC(=O)NN

PubChem CID 77433
CAS 3815-86-9
Molecular Weight (g/mol) 132.12
MDL Number MFCD00041268
SMILES NNC(=O)CC(=O)NN
Synonym malonic acid dihydrazide,malonohydrazide,malonic dihydrazide,propanedioic acid, dihydrazide,malonhydrazide,malonyl dihydrazide,malonic acid, dihydrazide,malonyl hydrazide,malonic acid hydrazide,malonoyldihydrazine
IUPAC Name propanedihydrazide
InChI Key PSIKPHJLTVSQFO-UHFFFAOYSA-N
Molecular Formula C3H8N4O2
15

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

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