phenylglyoxylate

Chemical Formula:

C₈H₅O₃

Molecular Weight:

149.126 Daltons

Monoisotopic Mass:

150.0316940589 Daltons

SMILES:

C(=O)(C(C1(C=CC=CC=1))=O)[O-]

InChI:

1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/p-1

InChIKey:

FAQJJMHZNSSFSM-UHFFFAOYSA-M

Synonyms

2-oxo-2-phenylacetate
phenylglyoxylic acid
benzoylformic acid
benzoylformate
alpha-Oxo-benzeneacetic acid

Databases

MetaCyc: PHENYLGLYOXYLATE

RefMet: Phenylglyoxylic acid

HMDB: HMDB01587

ChemSpider: 1265921

ChEBI: 36656 18280

PubChem (CID): 1548898 11915

KEGG: C02137

CAS: 611-73-4

Seed: cpd01447

MetaNetX: MNXM764

PupChem (SID): 5216

CHEMBL: CHEMBL950

PDB-CCD: 173

3DMET: B00392

NIKKAJI: J2.992K