benzoate

Chemical Formula:

C₇H₅O₂

Molecular Weight:

121.115 Daltons

Monoisotopic Mass:

122.03677943679999 Daltons

SMILES:

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

InChI:

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1

InChIKey:

WPYMKLBDIGXBTP-UHFFFAOYSA-M

Synonyms

benzoic acid
benzenecarboxylic acid
phenylformic acid
Dracylic acid

Databases

MetaCyc: BENZOATE

RefMet: Benzoic acid

MetaboLights: MTBLC16150

HMDB: HMDB01870

ChemSpider: 237

PubChem (CID): 242 243

KEGG: C00180

ChEBI: 16150 30746

CAS: 65-85-0

PupChem (SID): 3480

CHEMBL: CHEMBL541

PDB-CCD: BEZ

3DMET: B00053

NIKKAJI: J2.358B

MediaDB: compounds/176/

Reactome: 159446

Seed: cpd00153

MetaNetX: MNXM217

KNApSAcK: C00000207