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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 5984
CAS 57-48-7
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:48095
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula C6H12O6
2
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Thermo Scientific Chemicals D(-)-Tagatose, 99+%

CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 92092
CAS 87-81-0
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:47693
MDL Number MFCD00134449
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose
IUPAC Name (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-PQLUHFTBSA-N
Molecular Formula C6H12O6
3
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2,3-Butanedione, 99%

CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C

PubChem CID 650
CAS 431-03-8
Molecular Weight (g/mol) 86.09
ChEBI CHEBI:16583
MDL Number MFCD00008756
SMILES CC(=O)C(=O)C
Synonym 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane
IUPAC Name butane-2,3-dione
InChI Key QSJXEFYPDANLFS-UHFFFAOYSA-N
Molecular Formula C4H6O2
4

2-Acetylpyrrole, 99%

CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1

PubChem CID 14079
CAS 1072-83-9
Molecular Weight (g/mol) 109.13
ChEBI CHEBI:59981
MDL Number MFCD00005220
SMILES CC(=O)C1=CC=CN1
Synonym 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl
IUPAC Name 1-(1H-pyrrol-2-yl)ethanone
InChI Key IGJQUJNPMOYEJY-UHFFFAOYSA-N
Molecular Formula C6H7NO
5

2'-Iodoacetophenone, 99+%, Thermo Scientific Chemicals

CAS: 2142-70-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.04 MDL Number: MFCD00094998 InChI Key: XDXCBCXNCQGZPG-UHFFFAOYSA-N Synonym: 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene PubChem CID: 240431 IUPAC Name: 1-(2-iodophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1I

PubChem CID 240431
CAS 2142-70-3
Molecular Weight (g/mol) 246.04
MDL Number MFCD00094998
SMILES CC(=O)C1=CC=CC=C1I
Synonym 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene
IUPAC Name 1-(2-iodophenyl)ethanone
InChI Key XDXCBCXNCQGZPG-UHFFFAOYSA-N
Molecular Formula C8H7IO
6

Methyl 2-chloroacetoacetate, 95%

CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N Synonym: methyl 2-chloroacetoacetate,butanoic acid, 2-chloro-3-oxo-, methyl ester,2-chloroacetoacetic acid methyl ester,2-chloro-3-oxo-butyric acid methyl ester,methyl2-chloroacetoacetate,acmc-209k9v,methyl-2-chloroacetoacetate,methyl-alpha-chloroacetoacetate,2-chloroacetoacetate methyl ester,gyqriavrklrqkp-uhfffaoysa PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl

PubChem CID 107332
CAS 4755-81-1
Molecular Weight (g/mol) 150.56
MDL Number MFCD00008757
SMILES CC(=O)C(C(=O)OC)Cl
Synonym methyl 2-chloroacetoacetate,butanoic acid, 2-chloro-3-oxo-, methyl ester,2-chloroacetoacetic acid methyl ester,2-chloro-3-oxo-butyric acid methyl ester,methyl2-chloroacetoacetate,acmc-209k9v,methyl-2-chloroacetoacetate,methyl-alpha-chloroacetoacetate,2-chloroacetoacetate methyl ester,gyqriavrklrqkp-uhfffaoysa
IUPAC Name methyl 2-chloro-3-oxobutanoate
InChI Key GYQRIAVRKLRQKP-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
7

2-Benzoylpyridine, 99+%

CAS: 91-02-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006300 InChI Key: GCSHUYKULREZSJ-UHFFFAOYSA-N Synonym: 2-benzoylpyridine,phenyl pyridin-2-yl methanone,phenyl 2-pyridyl ketone,methanone, phenyl-2-pyridinyl,pyridine, 2-benzoyl,2-pyridyl phenyl ketone,ketone, phenyl 2-pyridyl,phenyl 2-pyridinyl methanone,phenyl-a-pyridylketone,phenyl 2-pyridyl methanone PubChem CID: 7038 IUPAC Name: phenyl(pyridin-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=N2

PubChem CID 7038
CAS 91-02-1
Molecular Weight (g/mol) 183.21
MDL Number MFCD00006300
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
Synonym 2-benzoylpyridine,phenyl pyridin-2-yl methanone,phenyl 2-pyridyl ketone,methanone, phenyl-2-pyridinyl,pyridine, 2-benzoyl,2-pyridyl phenyl ketone,ketone, phenyl 2-pyridyl,phenyl 2-pyridinyl methanone,phenyl-a-pyridylketone,phenyl 2-pyridyl methanone
IUPAC Name phenyl(pyridin-2-yl)methanone
InChI Key GCSHUYKULREZSJ-UHFFFAOYSA-N
Molecular Formula C12H9NO
8
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3-Acetylpyridine, 98%

CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1

PubChem CID 9589
CAS 350-03-8
Molecular Weight (g/mol) 121.14
MDL Number MFCD00006396
SMILES CC(=O)C1=CN=CC=C1
Synonym 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one
IUPAC Name 1-pyridin-3-ylethanone
InChI Key WEGYGNROSJDEIW-UHFFFAOYSA-N
Molecular Formula C7H7NO
9

3-Chloro-2,4-pentanedione, 98%

CAS: 1694-29-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.56 MDL Number: MFCD00009651 InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N PubChem CID: 74328 IUPAC Name: 3-chloropentane-2,4-dione SMILES: CC(=O)C(C(=O)C)Cl

PubChem CID 74328
CAS 1694-29-7
Molecular Weight (g/mol) 134.56
MDL Number MFCD00009651
SMILES CC(=O)C(C(=O)C)Cl
IUPAC Name 3-chloropentane-2,4-dione
InChI Key VLRGXXKFHVJQOL-UHFFFAOYSA-N
Molecular Formula C5H7ClO2
10
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2',4'-Dihydroxyacetophenone, 98%

CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 SMILES: CC(=O)C1=CC=C(O)C=C1O

PubChem CID 6990
CAS 89-84-9
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:18414
MDL Number MFCD00002279
SMILES CC(=O)C1=CC=C(O)C=C1O
Synonym 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one
InChI Key SULYEHHGGXARJS-UHFFFAOYSA-N
Molecular Formula C8H8O3
11

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
12

Isobutyrophenone 97%, ACROS Organics™

CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1

PubChem CID 69144
CAS 611-70-1
Molecular Weight (g/mol) 148.21
MDL Number MFCD00008917
SMILES CC(C)C(=O)C1=CC=CC=C1
Synonym isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone
IUPAC Name 2-methyl-1-phenylpropan-1-one
InChI Key BSMGLVDZZMBWQB-UHFFFAOYSA-N
Molecular Formula C10H12O
13

2-Chlorobenzoylacetonitrile, 98%, ACROS Organics™

CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl

PubChem CID 2734201
CAS 40018-25-5
Molecular Weight (g/mol) 179.603
MDL Number MFCD00051624
SMILES C1=CC=C(C(=C1)C(=O)CC#N)Cl
Synonym 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle
IUPAC Name 3-(2-chlorophenyl)-3-oxopropanenitrile
InChI Key SBSWHTFHLWSSQS-UHFFFAOYSA-N
Molecular Formula C9H6ClNO
14

n-Decanophenone, 99%, ACROS Organics™

CAS: 6048-82-4 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.37 MDL Number: MFCD00009582 InChI Key: QQXJNLYVPPBERR-UHFFFAOYSA-N Synonym: decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb PubChem CID: 80148 IUPAC Name: 1-phenyldecan-1-one SMILES: CCCCCCCCCC(=O)C1=CC=CC=C1

PubChem CID 80148
CAS 6048-82-4
Molecular Weight (g/mol) 232.37
MDL Number MFCD00009582
SMILES CCCCCCCCCC(=O)C1=CC=CC=C1
Synonym decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb
IUPAC Name 1-phenyldecan-1-one
InChI Key QQXJNLYVPPBERR-UHFFFAOYSA-N
Molecular Formula C16H24O
15

2',4'-Dimethoxyacetophenone, ACROS Organics™

CAS: 829-20-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008727 InChI Key: VQTDPCRSXHFMOL-UHFFFAOYSA-N Synonym: 2',4'-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethanone,2,4-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 1-2,4-dimethoxyphenyl,acetophenone, 2',4'-dimethoxy,peonol methyl ether,1-acetyl-2,4-dimethoxybenzene,pubchem10582,acmc-209pqs PubChem CID: 70016 IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC

PubChem CID 70016
CAS 829-20-9
Molecular Weight (g/mol) 180.203
MDL Number MFCD00008727
SMILES CC(=O)C1=C(C=C(C=C1)OC)OC
Synonym 2',4'-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethanone,2,4-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 1-2,4-dimethoxyphenyl,acetophenone, 2',4'-dimethoxy,peonol methyl ether,1-acetyl-2,4-dimethoxybenzene,pubchem10582,acmc-209pqs
IUPAC Name 1-(2,4-dimethoxyphenyl)ethanone
InChI Key VQTDPCRSXHFMOL-UHFFFAOYSA-N
Molecular Formula C10H12O3