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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alpha,alpha,alpha-Trifluoroacetophenone, 99%

CAS: 434-45-7 Molecular Formula: C₈H₅F₃O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F

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PubChem CID	9905
CAS	434-45-7
Molecular Weight (g/mol)	174.12
MDL Number	MFCD00000420
SMILES	C1=CC=C(C=C1)C(=O)C(F)(F)F
Synonym	trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09
IUPAC Name	2,2,2-trifluoro-1-phenylethanone
InChI Key	KZJRKRQSDZGHEC-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃O

alpha-Hydroxyacetophenone, 97%

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alpha-Bromo-2'-acetonaphthone, 98%

CAS: 613-54-7 MDL Number: MFCD00004109 InChI Key: YHXHHGDUANVQHE-UHFFFAOYSA-N Synonym: 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone PubChem CID: 69179 IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr

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PubChem CID	69179
CAS	613-54-7
MDL Number	MFCD00004109
SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
Synonym	2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone
IUPAC Name	2-bromo-1-naphthalen-2-ylethanone
InChI Key	YHXHHGDUANVQHE-UHFFFAOYSA-N

Pifithrin-alpha, p-Nitro hydrobromide, Thermo Scientific Chemicals

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4'-Hydroxyacetophenone, 99%

CAS: 99-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002359 InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N Synonym: 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone PubChem CID: 7469 ChEBI: CHEBI:28032 IUPAC Name: 1-(4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	7469
CAS	99-93-4
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:28032
MDL Number	MFCD00002359
SMILES	CC(=O)C1=CC=C(O)C=C1
Synonym	4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone
IUPAC Name	1-(4-hydroxyphenyl)ethanone
InChI Key	TXFPEBPIARQUIG-UHFFFAOYSA-N
Molecular Formula	C8H8O2

α-Ketoglutaric Acid, MP Biomedicals

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Thermo Scientific Chemicals D-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 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

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Specifications

PubChem CID	5984
CAS	57-48-7
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:48095
MDL Number	MFCD00148910
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

L-Kynurenine

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Acetophenone, 99%

CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	7410
CAS	98-86-2
Molecular Weight (g/mol)	120.151
ChEBI	CHEBI:27632
MDL Number	MFCD00008724
SMILES	CC(=O)C1=CC=CC=C1
Synonym	acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name	1-phenylethanone
InChI Key	KWOLFJPFCHCOCG-UHFFFAOYSA-N
Molecular Formula	C8H8O

4'-Nitroacetophenone, 98%

CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	7487
CAS	100-19-6
Molecular Weight (g/mol)	165.15
ChEBI	CHEBI:28735
MDL Number	MFCD00007355
SMILES	CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym	p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap
IUPAC Name	1-(4-nitrophenyl)ethanone
InChI Key	YQYGPGKTNQNXMH-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

2,4-Difluoro-alpha-(1H-1,2,4-triazolyl)acetophenone, TRC

CAS: 86404-63-9 Molecular Formula: C10 H7 F2 N3 O Molecular Weight (g/mol): 223.18 Synonym: Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-,1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone,1-(2,4-Difluorophenyl)-2-(4H-1,3,4-triazol-4-yl)ethan-1-one,2',4'-Difluoro-2-(1,2,4-triazol-1-yl)acetophenone,2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone,UK 51060,Voriconazole Imp. A (EP) IUPAC Name: 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone SMILES: Fc1ccc(C(=O)Cn2cncn2)c(F)c1

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Specifications

CAS	86404-63-9
Molecular Weight (g/mol)	223.18
SMILES	Fc1ccc(C(=O)Cn2cncn2)c(F)c1
Synonym	Ethanone, 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-,1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone,1-(2,4-Difluorophenyl)-2-(4H-1,3,4-triazol-4-yl)ethan-1-one,2',4'-Difluoro-2-(1,2,4-triazol-1-yl)acetophenone,2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone,UK 51060,Voriconazole Imp. A (EP)
IUPAC Name	1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Molecular Formula	C10 H7 F2 N3 O

4-Hydroxy-4-methyl-2-pentanone, 98+%

CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

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Specifications

PubChem CID	31256
CAS	123-42-2
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:55381
MDL Number	MFCD00004471
SMILES	CC(=O)CC(C)(C)O
Synonym	diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one
IUPAC Name	4-hydroxy-4-methylpentan-2-one
InChI Key	SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Formula	C6H12O2

4'-Methoxyacetophenone, 99%

CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(C)=O

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Specifications

PubChem CID	7476
CAS	100-06-1
Molecular Weight (g/mol)	150.18
ChEBI	CHEBI:86567
MDL Number	MFCD00008745
SMILES	COC1=CC=C(C=C1)C(C)=O
Synonym	4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl
IUPAC Name	1-(4-methoxyphenyl)ethanone
InChI Key	NTPLXRHDUXRPNE-UHFFFAOYSA-N
Molecular Formula	C9H10O2

Pyruvic acid, 98%

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

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Specifications

PubChem CID	1060
CAS	127-17-3
Molecular Weight (g/mol)	88.06
ChEBI	CHEBI:32816
MDL Number	MFCD00002585
SMILES	CC(=O)C(O)=O
Synonym	pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure
IUPAC Name	2-oxopropanoic acid
InChI Key	LCTONWCANYUPML-UHFFFAOYSA-N
Molecular Formula	C3H4O3

2-Ketoglutaric acid, 98%

CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O

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Specifications

PubChem CID	51
CAS	328-50-7
Molecular Weight (g/mol)	146.098
ChEBI	CHEBI:30915
MDL Number	MFCD00004165
SMILES	C(CC(=O)O)C(=O)C(=O)O
Synonym	2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid
IUPAC Name	2-oxopentanedioic acid
InChI Key	KPGXRSRHYNQIFN-UHFFFAOYSA-N
Molecular Formula	C5H6O5

Complex Ketones

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