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

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