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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 (505)
Complex Aldehydes (281)
Alpha beta-unsaturated carbonyl compounds (107)
Dicarbonyl Compounds (58)
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Tris(dibenzylideneacetone)dipalladium(0), 97%

CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

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PubChem CID 9811564
CAS 51364-51-3
Molecular Weight (g/mol) 915.73
MDL Number MFCD00013310
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Synonym tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
InChI Key CYPYTURSJDMMMP-UHFFFAOYSA-N
Molecular Formula C51H42O3Pd2
2

Tris(dibenzylideneacetone)dipalladium(0), Pd 21.5% min

CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

PubChem CID 9811564
CAS 51364-51-3
Molecular Weight (g/mol) 915.73
MDL Number MFCD00013310
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Synonym tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
InChI Key CYPYTURSJDMMMP-UHFFFAOYSA-N
Molecular Formula C51H42O3Pd2
3

L-Kynurenine

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4
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5-(Hydroxymethyl)furfural, 98%

CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

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PubChem CID 237332
CAS 67-47-0
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:412516
SMILES C1=C(OC(=C1)C=O)CO
Synonym 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole
IUPAC Name 5-(hydroxymethyl)furan-2-carbaldehyde
InChI Key NOEGNKMFWQHSLB-UHFFFAOYSA-N
Molecular Formula C6H6O3
5

Malonic acid, 99%

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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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
6

Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%

CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O

EDGE
PubChem CID 5460005
CAS 533-67-5
Molecular Weight (g/mol) 134.13
ChEBI CHEBI:28816
MDL Number MFCD00135904
SMILES OC[C@H]1OC(O)C[C@@H]1O
Synonym 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose
IUPAC Name (3S,4R)-3,4,5-trihydroxypentanal
InChI Key PDWIQYODPROSQH-GLULIZFNNA-N
Molecular Formula C5H10O4
7
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5-Methylfurfural, 98+%

CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

EDGE
PubChem CID 12097
CAS 620-02-0
Molecular Weight (g/mol) 110.11
ChEBI CHEBI:2091
MDL Number MFCD00003232
SMILES CC1=CC=C(O1)C=O
Synonym 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran
IUPAC Name 5-methylfuran-2-carbaldehyde
InChI Key OUDFNZMQXZILJD-UHFFFAOYSA-N
Molecular Formula C6H6O2
8
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Benzil, 99+%

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 8651
CAS 134-81-6
Molecular Weight (g/mol) 210.23
ChEBI CHEBI:51507
MDL Number MFCD00003080
SMILES O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon
IUPAC Name 1,2-diphenylethane-1,2-dione
InChI Key WURBFLDFSFBTLW-UHFFFAOYSA-N
Molecular Formula C14H10O2
9
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trans-2-Methyl-2-butenal, 98%

CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O

PubChem CID 5321950
CAS 497-03-0
Molecular Weight (g/mol) 84.12
MDL Number MFCD00006977
SMILES CC=C(C)C=O
Synonym tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e
IUPAC Name (E)-2-methylbut-2-enal
InChI Key ACWQBUSCFPJUPN-HWKANZROSA-N
Molecular Formula C5H8O
10

2-Hexanoylfuran, 99%

CAS: 14360-50-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00037354 InChI Key: YUAYWSBSIJVIBS-UHFFFAOYSA-N Synonym: 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl PubChem CID: 61738 IUPAC Name: 1-(furan-2-yl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=CO1

PubChem CID 61738
CAS 14360-50-0
Molecular Weight (g/mol) 166.22
MDL Number MFCD00037354
SMILES CCCCCC(=O)C1=CC=CO1
Synonym 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl
IUPAC Name 1-(furan-2-yl)hexan-1-one
InChI Key YUAYWSBSIJVIBS-UHFFFAOYSA-N
Molecular Formula C10H14O2
11

2-Chlorophenyl cyclopentyl ketone, 97%

CAS: 6740-85-8 Molecular Formula: C12H13ClO Molecular Weight (g/mol): 208.685 MDL Number: MFCD00038367 InChI Key: QIJMMRNZBJHXRI-UHFFFAOYSA-N Synonym: 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane PubChem CID: 81223 IUPAC Name: (2-chlorophenyl)-cyclopentylmethanone SMILES: C1CCC(C1)C(=O)C2=CC=CC=C2Cl

PubChem CID 81223
CAS 6740-85-8
Molecular Weight (g/mol) 208.685
MDL Number MFCD00038367
SMILES C1CCC(C1)C(=O)C2=CC=CC=C2Cl
Synonym 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane
IUPAC Name (2-chlorophenyl)-cyclopentylmethanone
InChI Key QIJMMRNZBJHXRI-UHFFFAOYSA-N
Molecular Formula C12H13ClO
12

Methyl malonyl chloride, 97%

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

PubChem CID 123460
CAS 37517-81-0
Molecular Weight (g/mol) 136.531
MDL Number MFCD00013657
SMILES COC(=O)CC(=O)Cl
IUPAC Name methyl 3-chloro-3-oxopropanoate
InChI Key UTBCRHAMJFMIIR-UHFFFAOYSA-N
Molecular Formula C4H5ClO3
13

3-Hydroxy-3-methyl-2-butanone, 90+%

CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O

PubChem CID 8261
CAS 115-22-0
Molecular Weight (g/mol) 102.133
MDL Number MFCD00004460
SMILES CC(=O)C(C)(C)O
Synonym 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone
IUPAC Name 3-hydroxy-3-methylbutan-2-one
InChI Key BNDRWEVUODOUDW-UHFFFAOYSA-N
Molecular Formula C5H10O2
14

3',4'-Dimethoxyacetophenone, 98+%

CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC

PubChem CID 14328
CAS 1131-62-0
Molecular Weight (g/mol) 180.203
ChEBI CHEBI:86576
MDL Number MFCD00008737
SMILES CC(=O)C1=CC(=C(C=C1)OC)OC
Synonym 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy
IUPAC Name 1-(3,4-dimethoxyphenyl)ethanone
InChI Key IQZLUWLMQNGTIW-UHFFFAOYSA-N
Molecular Formula C10H12O3
15

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)terbium(III), 99%, Thermo Scientific Chemicals

CAS: 15492-51-0 Molecular Formula: C33H57O6Tb Molecular Weight (g/mol): 708.74 MDL Number: MFCD00064752 InChI Key: DIIXZXQKWUIOAN-UHFFFAOYSA-N Synonym: tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate PubChem CID: 133109942 SMILES: [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

PubChem CID 133109942
CAS 15492-51-0
Molecular Weight (g/mol) 708.74
MDL Number MFCD00064752
SMILES [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate
InChI Key DIIXZXQKWUIOAN-UHFFFAOYSA-N
Molecular Formula C33H57O6Tb