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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CAS: 121-97-1 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC

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PubChem CID	67144
CAS	121-97-1
Molecular Weight (g/mol)	164.2
MDL Number	MFCD00009310
SMILES	CCC(=O)C1=CC=C(C=C1)OC
IUPAC Name	1-(4-methoxyphenyl)propan-1-one
InChI Key	ZJVAWPKTWVFKHG-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

2-Chlorocyclopentanone, 97%, stabilized

CAS: 694-28-0 Molecular Formula: C5H7ClO Molecular Weight (g/mol): 118.56 MDL Number: MFCD00001410 InChI Key: AXDZFGRFZOQVBV-UHFFFAOYNA-N Synonym: 2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b PubChem CID: 12751 IUPAC Name: 2-chlorocyclopentan-1-one SMILES: ClC1CCCC1=O

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PubChem CID	12751
CAS	694-28-0
Molecular Weight (g/mol)	118.56
MDL Number	MFCD00001410
SMILES	ClC1CCCC1=O
Synonym	2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b
IUPAC Name	2-chlorocyclopentan-1-one
InChI Key	AXDZFGRFZOQVBV-UHFFFAOYNA-N
Molecular Formula	C5H7ClO

Chloroacetone, 96%, stabilized

CAS: 78-95-5 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00000936 InChI Key: BULLHNJGPPOUOX-UHFFFAOYSA-N Synonym: chloroacetone,chloropropanone,acetonyl chloride,monochloroacetone,tonite,2-propanone, 1-chloro,chloro-2-propanone,1-chloroacetone,chloromethyl methyl ketone,1-chloro-2-propanone PubChem CID: 6571 ChEBI: CHEBI:47220 IUPAC Name: 1-chloropropan-2-one SMILES: CC(=O)CCl

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PubChem CID	6571
CAS	78-95-5
Molecular Weight (g/mol)	92.52
ChEBI	CHEBI:47220
MDL Number	MFCD00000936
SMILES	CC(=O)CCl
Synonym	chloroacetone,chloropropanone,acetonyl chloride,monochloroacetone,tonite,2-propanone, 1-chloro,chloro-2-propanone,1-chloroacetone,chloromethyl methyl ketone,1-chloro-2-propanone
IUPAC Name	1-chloropropan-2-one
InChI Key	BULLHNJGPPOUOX-UHFFFAOYSA-N
Molecular Formula	C3H5ClO

5-Methoxyisatin, 97%

CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 IUPAC Name: 5-methoxy-1H-indole-2,3-dione SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1

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PubChem CID	38333
CAS	39755-95-8
Molecular Weight (g/mol)	177.16
MDL Number	MFCD00169023
SMILES	COC1=CC=C2NC(=O)C(=O)C2=C1
Synonym	5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci
IUPAC Name	5-methoxy-1H-indole-2,3-dione
InChI Key	DMHGXMPXHPOXBF-UHFFFAOYSA-N
Molecular Formula	C9H7NO3

3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%

CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

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PubChem CID	17198
CAS	2478-38-8
Molecular Weight (g/mol)	196.20
ChEBI	CHEBI:2404
MDL Number	MFCD00008748
SMILES	COC1=CC(=CC(OC)=C1O)C(C)=O
Synonym	acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy
IUPAC Name	1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI Key	OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula	C10H12O4

3-(3-Chlorophenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™

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

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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

2,4-Diacetylphloroglucinol, 97%

CAS: 2161-86-6 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00100483 InChI Key: PIFFQYJYNWXNGE-UHFFFAOYSA-N Synonym: 2,4-diacetylphloroglucinol,1-3-acetyl-2,4,6-trihydroxyphenyl ethan-1-one,diacetylphloroglucinol,phloroglucinol, diacetyl,unii-8xv4yyo3wn,8xv4yyo3wn,1-3-acetyl-2,4,6-trihydroxyphenyl ethanone,1,1'-2,4,6-trihydroxy-1,3-phenylene bisethanone,ethanone,1,1'-2,4,6-trihydroxy-1,3-phenylene bis,1-3-acetyl-2,4,6-trihydroxy-phenyl ethanone PubChem CID: 16547 ChEBI: CHEBI:78688 IUPAC Name: 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C(C(C)=O)=C(O)C=C1O

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Specifications

PubChem CID	16547
CAS	2161-86-6
Molecular Weight (g/mol)	210.19
ChEBI	CHEBI:78688
MDL Number	MFCD00100483
SMILES	CC(=O)C1=C(O)C(C(C)=O)=C(O)C=C1O
Synonym	2,4-diacetylphloroglucinol,1-3-acetyl-2,4,6-trihydroxyphenyl ethan-1-one,diacetylphloroglucinol,phloroglucinol, diacetyl,unii-8xv4yyo3wn,8xv4yyo3wn,1-3-acetyl-2,4,6-trihydroxyphenyl ethanone,1,1'-2,4,6-trihydroxy-1,3-phenylene bisethanone,ethanone,1,1'-2,4,6-trihydroxy-1,3-phenylene bis,1-3-acetyl-2,4,6-trihydroxy-phenyl ethanone
IUPAC Name	1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
InChI Key	PIFFQYJYNWXNGE-UHFFFAOYSA-N
Molecular Formula	C10H10O5

1-Methylisatin, 98%

CAS: 2058-74-4 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005812 InChI Key: VCYBVWFTGAZHGH-UHFFFAOYSA-N Synonym: n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione PubChem CID: 16358 IUPAC Name: 1-methylindole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC=CC=C12

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Specifications

PubChem CID	16358
CAS	2058-74-4
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005812
SMILES	CN1C(=O)C(=O)C2=CC=CC=C12
Synonym	n-methylisatin,1-methylisatin,1-methyl-1h-indole-2,3-dione,1-methylindoline-2,3-dione,1h-indole-2,3-dione, 1-methyl,1-methyl-indole-2,3-dione,1 methylisatine,n-methylindol-2,3-dione,1-methyl-2,3-dihydro-1h-indole-2,3-dione,1-methyl-2,3-indolinedione
IUPAC Name	1-methylindole-2,3-dione
InChI Key	VCYBVWFTGAZHGH-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

4'-Iodoacetophenone, 98%

CAS: 13329-40-3 Molecular Formula: C₈H₇IO Molecular Weight (g/mol): 246.05 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

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PubChem CID	72869
CAS	13329-40-3
Molecular Weight (g/mol)	246.05
MDL Number	MFCD00045320
SMILES	CC(=O)C1=CC=C(C=C1)I
Synonym	4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone
IUPAC Name	1-(4-iodophenyl)ethanone
InChI Key	JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular Formula	C₈H₇IO

(4-Bromophenyl)cyclopropylmethanone, 95%

CAS: 6952-89-2 MDL Number: MFCD00019227 InChI Key: QTHHOINSCNBYQO-UHFFFAOYSA-N Synonym: 4-bromophenyl cyclopropyl methanone,4-bromophenyl cyclopropyl ketone,4-bromophenyl cyclopropylmethanone,methanone, 4-bromophenyl cyclopropyl,4-bromo-cyclopropylcarbonylbenzene,acmc-1bag8,4-bromobenzoyl cyclopropane,bromophenylcyclopropylmethanone PubChem CID: 81394 IUPAC Name: (4-bromophenyl)-cyclopropylmethanone SMILES: C1CC1C(=O)C2=CC=C(C=C2)Br

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Specifications

PubChem CID	81394
CAS	6952-89-2
MDL Number	MFCD00019227
SMILES	C1CC1C(=O)C2=CC=C(C=C2)Br
Synonym	4-bromophenyl cyclopropyl methanone,4-bromophenyl cyclopropyl ketone,4-bromophenyl cyclopropylmethanone,methanone, 4-bromophenyl cyclopropyl,4-bromo-cyclopropylcarbonylbenzene,acmc-1bag8,4-bromobenzoyl cyclopropane,bromophenylcyclopropylmethanone
IUPAC Name	(4-bromophenyl)-cyclopropylmethanone
InChI Key	QTHHOINSCNBYQO-UHFFFAOYSA-N

5-Acetyl-2-methoxypyridine, 97%

CAS: 213193-32-9 Molecular Formula: C₈H₉NO₂ Molecular Weight (g/mol): 151.17 InChI Key: RYOQZXOVBJIUSX-UHFFFAOYSA-N Synonym: 5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine PubChem CID: 10534837 IUPAC Name: 1-(6-methoxypyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)OC

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Specifications

PubChem CID	10534837
CAS	213193-32-9
Molecular Weight (g/mol)	151.17
SMILES	CC(=O)C1=CN=C(C=C1)OC
Synonym	5-acetyl-2-methoxypyridine,1-6-methoxypyridin-3-yl ethanone,1-6-methoxypyridin-3-yl ethan-1-one,1-6-methoxy-3-pyridyl ethanone,ethanone, 1-6-methoxy-3-pyridinyl,3-acetyl-6-methoxypyridine,1-6-methoxy-3-pyridinyl ethanone,pubchem16770,acmc-209fj4,2-methoxy-5-acetylpyridine
IUPAC Name	1-(6-methoxypyridin-3-yl)ethanone
InChI Key	RYOQZXOVBJIUSX-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₂

1,2-Indanedione, 95%

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N-Phenacylpyridinium bromide, 97%, Thermo Scientific™

CAS: 16883-69-5 Molecular Formula: C₁₃H₁₂BrNO Molecular Weight (g/mol): 278.15 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]

Pricing and Availability
Specifications

PubChem CID	2798954
CAS	16883-69-5
Molecular Weight (g/mol)	278.15
SMILES	C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
Synonym	1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide
IUPAC Name	1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
InChI Key	PXSUMUYPXZEXDT-UHFFFAOYSA-M
Molecular Formula	C₁₃H₁₂BrNO

Thenoyltrifluoroacetone, 99%

CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1

Pricing and Availability
Specifications

PubChem CID	5601
CAS	326-91-0
Molecular Weight (g/mol)	222.18
MDL Number	MFCD00005445
SMILES	FC(F)(F)C(=O)CC(=O)C1=CC=CS1
Synonym	2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone
IUPAC Name	4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
InChI Key	TXBBUSUXYMIVOS-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2S

3-(3-Methylphenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™

CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N

Pricing and Availability
Specifications

PubChem CID	143105
CAS	53882-81-8
Molecular Weight (g/mol)	159.188
MDL Number	MFCD00067922
SMILES	CC1=CC=CC(=C1)C(=O)CC#N
Synonym	3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile
IUPAC Name	3-(3-methylphenyl)-3-oxopropanenitrile
InChI Key	IVLKDYOTZMFMLO-UHFFFAOYSA-N
Molecular Formula	C10H9NO

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