173

BENZOYL-FORMIC ACID

Created:	2004-04-09
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

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Chemical Component Summary
Name	BENZOYL-FORMIC ACID
Synonyms	OXO(PHENYL)ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-oxo-2-phenyl-ethanoic acid
Formula	C₈ H₆ O₃
Molecular Weight	150.131
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C(=O)O)c1ccccc1
SMILES	CACTVS	3.341	OC(=O)C(=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C(=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKey	InChI	1.03	FAQJJMHZNSSFSM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02279
Name	Benzoylformic Acid
Groups	experimental
Synonyms	Benzoylformic Acid
Categories	Acids, Aldehydic Acids, Carbocyclic Hydroxy Acids
CAS number	611-73-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hydroxyacid oxidase 1	MLPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLY...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682