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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.
Complex Ketones (2,503)
Complex Aldehydes (1,363)
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Alpha beta-unsaturated carbonyl compounds (319)
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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
2

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
3

Butyraldehyde, 99%

CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O

PubChem CID 261
CAS 123-72-8
Molecular Weight (g/mol) 72.11
ChEBI CHEBI:15743
MDL Number MFCD00007023
SMILES CCCC=O
Synonym butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal
IUPAC Name butanal
InChI Key ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Molecular Formula C4H8O
4

7-Methoxy-1-indanone, 95%

CAS: 34985-41-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD06659666 InChI Key: CZXBVBATQPHSSL-UHFFFAOYSA-N PubChem CID: 288143 IUPAC Name: 7-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=CC2=C1C(=O)CC2

PubChem CID 288143
CAS 34985-41-6
Molecular Weight (g/mol) 162.188
MDL Number MFCD06659666
SMILES COC1=CC=CC2=C1C(=O)CC2
IUPAC Name 7-methoxy-2,3-dihydroinden-1-one
InChI Key CZXBVBATQPHSSL-UHFFFAOYSA-N
Molecular Formula C10H10O2
5

6-Methoxy-1-indanone, 99%, Thermo Scientific Chemicals

CAS: 13623-25-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00021232 InChI Key: UJGDLLGKMWVCPT-UHFFFAOYSA-N Synonym: 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon PubChem CID: 334036 IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=C2CCC(=O)C2=C1

PubChem CID 334036
CAS 13623-25-1
Molecular Weight (g/mol) 162.19
MDL Number MFCD00021232
SMILES COC1=CC=C2CCC(=O)C2=C1
Synonym 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon
IUPAC Name 6-methoxy-2,3-dihydroinden-1-one
InChI Key UJGDLLGKMWVCPT-UHFFFAOYSA-N
Molecular Formula C10H10O2
6

Dimethyl cyclohexylmalonate, 95%

CAS: 49769-76-8 Molecular Formula: C11H18O4 Molecular Weight (g/mol): 214.261 MDL Number: MFCD05666206 InChI Key: CULITIDIVVTWIV-UHFFFAOYSA-N Synonym: dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester PubChem CID: 2793740 IUPAC Name: dimethyl 2-cyclohexylpropanedioate SMILES: COC(=O)C(C1CCCCC1)C(=O)OC

PubChem CID 2793740
CAS 49769-76-8
Molecular Weight (g/mol) 214.261
MDL Number MFCD05666206
SMILES COC(=O)C(C1CCCCC1)C(=O)OC
Synonym dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester
IUPAC Name dimethyl 2-cyclohexylpropanedioate
InChI Key CULITIDIVVTWIV-UHFFFAOYSA-N
Molecular Formula C11H18O4
7

Isobutyraldehyde, 98%

CAS: 78-84-2 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00006980 InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N Synonym: isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde PubChem CID: 6561 ChEBI: CHEBI:48943 IUPAC Name: 2-methylpropanal SMILES: CC(C)C=O

PubChem CID 6561
CAS 78-84-2
Molecular Weight (g/mol) 72.11
ChEBI CHEBI:48943
MDL Number MFCD00006980
SMILES CC(C)C=O
Synonym isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde
IUPAC Name 2-methylpropanal
InChI Key AMIMRNSIRUDHCM-UHFFFAOYSA-N
Molecular Formula C4H8O
8

3-Bromo-2-butanone, 97%, stab. with <1% magnesium oxide

CAS: 814-75-5 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.003 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br

PubChem CID 13142
CAS 814-75-5
Molecular Weight (g/mol) 151.003
MDL Number MFCD00013538
SMILES CC(C(=O)C)Br
Synonym 3-bromo-2-butanone,2-butanone, 3-bromo,2-bromo-3-butanone,3-bromo-butan-2-one,1-bromoethyl methyl ketone,2-bromobutan-2-one,3-bromobutanone,3-bromo-2-butanon,2-bromo-3-oxobutane,3-bromo-butan-2-on
IUPAC Name 3-bromobutan-2-one
InChI Key BNBOUFHCTIFWHN-UHFFFAOYSA-N
Molecular Formula C4H7BrO
9

2'-Methoxyacetophenone, 98%

CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(C)=O

PubChem CID 68481
CAS 579-74-8
Molecular Weight (g/mol) 150.18
MDL Number MFCD00008725
SMILES COC1=CC=CC=C1C(C)=O
Synonym 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone
IUPAC Name 1-(2-methoxyphenyl)ethanone
InChI Key DWPLEOPKBWNPQV-UHFFFAOYSA-N
Molecular Formula C9H10O2
10

Methyl 4-chloroacetoacetate, 97+%

CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl

PubChem CID 36240
CAS 32807-28-6
Molecular Weight (g/mol) 150.56
MDL Number MFCD00000938
SMILES COC(=O)CC(=O)CCl
Synonym methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042
IUPAC Name methyl 4-chloro-3-oxobutanoate
InChI Key HFLMYYLFSNEOOT-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
11

Bupropion hydrochloride, 99%

CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.201 MDL Number: MFCD00055209 InChI Key: HEYVINCGKDONRU-UHFFFAOYSA-N Synonym: bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl PubChem CID: 62884 IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl

PubChem CID 62884
CAS 31677-93-7
Molecular Weight (g/mol) 276.201
MDL Number MFCD00055209
SMILES CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl
Synonym bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl
IUPAC Name 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride
InChI Key HEYVINCGKDONRU-UHFFFAOYSA-N
Molecular Formula C13H19Cl2NO
12

2',6'-Dichloroacetophenone, 98%

CAS: 2040-05-3 MDL Number: MFCD00016339

CAS 2040-05-3
MDL Number MFCD00016339
13

3-Hydroxybenzaldehyde, 97%

CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O

PubChem CID 101
CAS 100-83-4
Molecular Weight (g/mol) 122.123
ChEBI CHEBI:16207
MDL Number MFCD00003368
SMILES C1=CC(=CC(=C1)O)C=O
Synonym m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde
IUPAC Name 3-hydroxybenzaldehyde
InChI Key IAVREABSGIHHMO-UHFFFAOYSA-N
Molecular Formula C7H6O2
14

4'-Acetamidoacetophenone, 98%

CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C

PubChem CID 75937
CAS 2719-21-3
Molecular Weight (g/mol) 177.203
MDL Number MFCD00014965
SMILES CC(=O)C1=CC=C(C=C1)NC(=O)C
Synonym 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone
IUPAC Name N-(4-acetylphenyl)acetamide
InChI Key WECHHDJTILFYQT-UHFFFAOYSA-N
Molecular Formula C10H11NO2
15

2,2,2,3'-Tetrafluoroacetophenone, 98%

CAS: 708-64-5 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.11 MDL Number: MFCD00039236 InChI Key: NQSPTMFCJGKOQJ-UHFFFAOYSA-N Synonym: 2,2,2,3'-tetrafluoroacetophenone,2,2,2-trifluoro-1-3-fluorophenyl ethanone,m-fluorotrifluoroacetophenone,acetophenone, 2,2,2,3'-tetrafluoro,2,2,2-trifluoro-1-3-fluorophenyl ethan-1-one,ethanone, 2,2,2-trifluoro-1-3-fluorophenyl,ethanone,2,2,2-trifluoro-1-3-fluorophenyl,acmc-20aol4,m,alpha,alpha,alpha-tetrafluoroacetophenone,2,2,2,3'-trtrafluoroacetophenone PubChem CID: 69723 IUPAC Name: 2,2,2-trifluoro-1-(3-fluorophenyl)ethanone SMILES: FC1=CC=CC(=C1)C(=O)C(F)(F)F

PubChem CID 69723
CAS 708-64-5
Molecular Weight (g/mol) 192.11
MDL Number MFCD00039236
SMILES FC1=CC=CC(=C1)C(=O)C(F)(F)F
Synonym 2,2,2,3'-tetrafluoroacetophenone,2,2,2-trifluoro-1-3-fluorophenyl ethanone,m-fluorotrifluoroacetophenone,acetophenone, 2,2,2,3'-tetrafluoro,2,2,2-trifluoro-1-3-fluorophenyl ethan-1-one,ethanone, 2,2,2-trifluoro-1-3-fluorophenyl,ethanone,2,2,2-trifluoro-1-3-fluorophenyl,acmc-20aol4,m,alpha,alpha,alpha-tetrafluoroacetophenone,2,2,2,3'-trtrafluoroacetophenone
IUPAC Name 2,2,2-trifluoro-1-(3-fluorophenyl)ethanone
InChI Key NQSPTMFCJGKOQJ-UHFFFAOYSA-N
Molecular Formula C8H4F4O