phenylacetate

Chemical Formula:

C₈H₇O₂

Molecular Weight:

135.142 Daltons

Monoisotopic Mass:

136.052429501 Daltons

SMILES:

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

InChI:

1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1

InChIKey:

WLJVXDMOQOGPHL-UHFFFAOYSA-M

Synonyms

2-phenylacetate
benzeneacetic acid
phenylacetic acid
Benzylformic acid

Databases

MetaCyc: PHENYLACETATE

RefMet: Phenylacetic acid

BiGG: pac

MetaboLights: MTBLC18401

HMDB: HMDB00209

ChemSpider: 3610724

ChEBI: 18401 30745

Wikipedia: Phenylacetic_acid

CAS: 103-82-2

PubChem (CID): 4409936 999

KEGG: C07086

PupChem (SID): 9297

CHEMBL: CHEMBL1044

KNApSAcK: C00000750

PDB-CCD: PAC

NIKKAJI: J10.117F