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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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Alpha beta-unsaturated carbonyl compounds (322)
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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

4'-Cyclohexylacetophenone, 99%

CAS: 18594-05-3 Molecular Formula: C14H18O Molecular Weight (g/mol): 202.30 MDL Number: MFCD00001453 InChI Key: MSDQNIRGPBARGC-UHFFFAOYSA-N Synonym: 4'-cyclohexylacetophenone,1-4-cyclohexylphenyl ethanone,1-4-cyclohexylphenyl ethan-1-one,4-cyclohexylacetophenone,ethanone, 1-4-cyclohexylphenyl,1-acetyl-4-cyclohexylbenzene,p-cyclohexylacetophenone,acmc-209ena,4-cyclohexylace-tophenone,4'-cyclohexyl actephenone PubChem CID: 87715 SMILES: CC(=O)C1=CC=C(C=C1)C1CCCCC1

PubChem CID 87715
CAS 18594-05-3
Molecular Weight (g/mol) 202.30
MDL Number MFCD00001453
SMILES CC(=O)C1=CC=C(C=C1)C1CCCCC1
Synonym 4'-cyclohexylacetophenone,1-4-cyclohexylphenyl ethanone,1-4-cyclohexylphenyl ethan-1-one,4-cyclohexylacetophenone,ethanone, 1-4-cyclohexylphenyl,1-acetyl-4-cyclohexylbenzene,p-cyclohexylacetophenone,acmc-209ena,4-cyclohexylace-tophenone,4'-cyclohexyl actephenone
InChI Key MSDQNIRGPBARGC-UHFFFAOYSA-N
Molecular Formula C14H18O
5

2-Bromo-2',4'-difluoroacetophenone, 95%, Thermo Scientific Chemicals

CAS: 102429-07-2 Molecular Formula: C8H5BrF2O Molecular Weight (g/mol): 235.03 InChI Key: CSGDTHXBRAAOHV-UHFFFAOYSA-N Synonym: 2-bromo-2',4'-difluoroacetophenone,2-bromo-1-2,4-difluorophenyl ethanone,2,4-difluorophenacyl bromide,2-bromo-1-2,4-difluorophenyl ethan-1-one,2-bromo-1-2,4-difluoro-phenyl-ethanone,2',4'-difluorophenacyl bromide,2-bromo-2,4-difluoroacetophenone,ethanone, 2-bromo-1-2,4-difluorophenyl,alpha-bromo-2',4'-difluoroacetophenone,acmc-1c4aw PubChem CID: 2774185 IUPAC Name: 2-bromo-1-(2,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1F)F)C(=O)CBr

PubChem CID 2774185
CAS 102429-07-2
Molecular Weight (g/mol) 235.03
SMILES C1=CC(=C(C=C1F)F)C(=O)CBr
Synonym 2-bromo-2',4'-difluoroacetophenone,2-bromo-1-2,4-difluorophenyl ethanone,2,4-difluorophenacyl bromide,2-bromo-1-2,4-difluorophenyl ethan-1-one,2-bromo-1-2,4-difluoro-phenyl-ethanone,2',4'-difluorophenacyl bromide,2-bromo-2,4-difluoroacetophenone,ethanone, 2-bromo-1-2,4-difluorophenyl,alpha-bromo-2',4'-difluoroacetophenone,acmc-1c4aw
IUPAC Name 2-bromo-1-(2,4-difluorophenyl)ethanone
InChI Key CSGDTHXBRAAOHV-UHFFFAOYSA-N
Molecular Formula C8H5BrF2O
6

3-Chlorobenzoylacetonitrile, 98%

CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N

PubChem CID 140855
CAS 21667-62-9
Molecular Weight (g/mol) 179.60
MDL Number MFCD00067891
SMILES ClC1=CC=CC(=C1)C(=O)CC#N
Synonym 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670
IUPAC Name 3-(3-chlorophenyl)-3-oxopropanenitrile
InChI Key IUDFNNHFARLIPF-UHFFFAOYSA-N
Molecular Formula C9H6ClNO
7

3-Acetyl-2,5-dichlorothiophene, 98%

CAS: 36157-40-1 Molecular Formula: C6H4Cl2OS Molecular Weight (g/mol): 195.057 MDL Number: MFCD00014522 InChI Key: GYFDNIRENHZKGR-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 PubChem CID: 118920 IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)ethanone SMILES: CC(=O)C1=C(SC(=C1)Cl)Cl

PubChem CID 118920
CAS 36157-40-1
Molecular Weight (g/mol) 195.057
MDL Number MFCD00014522
SMILES CC(=O)C1=C(SC(=C1)Cl)Cl
Synonym 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481
IUPAC Name 1-(2,5-dichlorothiophen-3-yl)ethanone
InChI Key GYFDNIRENHZKGR-UHFFFAOYSA-N
Molecular Formula C6H4Cl2OS
8

4-(4-Biphenylyl)-4-oxobutyric acid, 96%

CAS: 36330-85-5 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00056701 InChI Key: ZPAKPRAICRBAOD-UHFFFAOYSA-N Synonym: fenbufen,lederfen,cinopal,bufemid,napanol,4-4-biphenylyl-4-oxobutyric acid,3-4-phenylbenzoyl propionic acid,3-4-biphenylylcarbonyl propionic acid,4-biphenyl-4-yl-4-oxobutanoic acid,gamma-oxo 1,1'-biphenyl-4-butanoic acid PubChem CID: 3335 ChEBI: CHEBI:31599 IUPAC Name: 4-oxo-4-(4-phenylphenyl)butanoic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O

PubChem CID 3335
CAS 36330-85-5
Molecular Weight (g/mol) 254.285
ChEBI CHEBI:31599
MDL Number MFCD00056701
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O
Synonym fenbufen,lederfen,cinopal,bufemid,napanol,4-4-biphenylyl-4-oxobutyric acid,3-4-phenylbenzoyl propionic acid,3-4-biphenylylcarbonyl propionic acid,4-biphenyl-4-yl-4-oxobutanoic acid,gamma-oxo 1,1'-biphenyl-4-butanoic acid
IUPAC Name 4-oxo-4-(4-phenylphenyl)butanoic acid
InChI Key ZPAKPRAICRBAOD-UHFFFAOYSA-N
Molecular Formula C16H14O3
9

Methyl 4-acetylbenzoate, 98%

CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC

PubChem CID 137990
CAS 3609-53-8
Molecular Weight (g/mol) 178.19
MDL Number MFCD00216474
SMILES CC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b
IUPAC Name methyl 4-acetylbenzoate
InChI Key QNTSFZXGLAHYLC-UHFFFAOYSA-N
Molecular Formula C10H10O3
10

4'-Aminoacetophenone, 99%

CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1

PubChem CID 7468
CAS 99-92-3
Molecular Weight (g/mol) 135.17
MDL Number MFCD00007896
SMILES CC(=O)C1=CC=C(N)C=C1
Synonym 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino
IUPAC Name 1-(4-aminophenyl)ethanone
InChI Key GPRYKVSEZCQIHD-UHFFFAOYSA-N
Molecular Formula C8H9NO
11

2-Amino-3'-nitroacetophenone hydrochloride, 98%

CAS: 36765-84-1 Molecular Formula: C8H9N2O3 Molecular Weight (g/mol): 181.17 MDL Number: MFCD00051997 InChI Key: NXCCDPOCDBAGFX-UHFFFAOYSA-O Synonym: 3-nitrophenacylamine hydrochloride,2-amino-1-3-nitrophenyl ethanone hydrochloride,2-amino-3'-nitroacetophenone hydrochloride,2-amino-1-3-nitrophenyl ethan-1-one hydrochloride,acmc-20amzi,2-amine-3'-nitroacetophenone hcl,2-amino-1-3-nitrophenyl ethanone hcl salt,2-amino-3-nitroacetophenone hydrochloride PubChem CID: 2774374 IUPAC Name: 2-amino-1-(3-nitrophenyl)ethanone;hydrochloride SMILES: [NH3+]CC(=O)C1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 2774374
CAS 36765-84-1
Molecular Weight (g/mol) 181.17
MDL Number MFCD00051997
SMILES [NH3+]CC(=O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym 3-nitrophenacylamine hydrochloride,2-amino-1-3-nitrophenyl ethanone hydrochloride,2-amino-3'-nitroacetophenone hydrochloride,2-amino-1-3-nitrophenyl ethan-1-one hydrochloride,acmc-20amzi,2-amine-3'-nitroacetophenone hcl,2-amino-1-3-nitrophenyl ethanone hcl salt,2-amino-3-nitroacetophenone hydrochloride
IUPAC Name 2-amino-1-(3-nitrophenyl)ethanone;hydrochloride
InChI Key NXCCDPOCDBAGFX-UHFFFAOYSA-O
Molecular Formula C8H9N2O3
12

2-Bromo-4'-methoxyacetophenone, 98%

CAS: 2632-13-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000201 InChI Key: XQJAHBHCLXUGEP-UHFFFAOYSA-N Synonym: 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone PubChem CID: 4965 IUPAC Name: 2-bromo-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CBr

PubChem CID 4965
CAS 2632-13-5
Molecular Weight (g/mol) 229.07
MDL Number MFCD00000201
SMILES COC1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone
IUPAC Name 2-bromo-1-(4-methoxyphenyl)ethanone
InChI Key XQJAHBHCLXUGEP-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
13

Hexanophenone, 98%

CAS: 942-92-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009512 InChI Key: MAHPVQDVMLWUAG-UHFFFAOYSA-N Synonym: hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone PubChem CID: 70337 IUPAC Name: 1-phenylhexan-1-one SMILES: CCCCCC(=O)C1=CC=CC=C1

PubChem CID 70337
CAS 942-92-7
Molecular Weight (g/mol) 176.26
MDL Number MFCD00009512
SMILES CCCCCC(=O)C1=CC=CC=C1
Synonym hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone
IUPAC Name 1-phenylhexan-1-one
InChI Key MAHPVQDVMLWUAG-UHFFFAOYSA-N
Molecular Formula C12H16O
14

2'-Hydroxyacetophenone, 99%

CAS: 118-93-4 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Synonym: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O

PubChem CID 8375
CAS 118-93-4
Molecular Weight (g/mol) 136.15
MDL Number MFCD00002219
SMILES CC(=O)C1=CC=CC=C1O
Synonym 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone
IUPAC Name 1-(2-hydroxyphenyl)ethanone
InChI Key JECYUBVRTQDVAT-UHFFFAOYSA-N
15

3',4'-Dichloroacetophenone, 98+%

CAS: 2642-63-9 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000553 InChI Key: WBPAOUHWPONFEQ-UHFFFAOYSA-N Synonym: 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone PubChem CID: 75841 IUPAC Name: 1-(3,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C(Cl)=C1

PubChem CID 75841
CAS 2642-63-9
Molecular Weight (g/mol) 189.04
MDL Number MFCD00000553
SMILES CC(=O)C1=CC=C(Cl)C(Cl)=C1
Synonym 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone
IUPAC Name 1-(3,4-dichlorophenyl)ethanone
InChI Key WBPAOUHWPONFEQ-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O