phthalate





Chemical Formula:
C8H4O4
Molecular Weight:
164.117 Daltons
Monoisotopic Mass:
166.026608681 Daltons
SMILES:
C(C1(C=CC=CC(C([O-])=O)=1))([O-])=O
InChI:
1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2

Synonyms
  • phthalic acid
  • 1,2-benzenedicarboxylic acid
  • o-benzenedicarboxylic acid
  • benzene-1,2-dicarboxylic acid
  • o-phthalic acid
  • o-dicarboxybenzene

Databases
MetaCyc:  PHTHALATE
RefMet:  Phthalic acid
HMDB:  HMDB02107
ChemSpider:  158278
ChEBI:  17563 29069
PubChem (CID):  181977 1017
KEGG:  C01606
NCI:  5348
CAS:  88-99-3
Seed:  cpd01129
MetaNetX:  MNXM1245
PupChem (SID):  4759
CHEMBL:  CHEMBL1045
PDB-CCD:  PHT
3DMET:  B00332
NIKKAJI:  J3.547E