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
InChIKey:
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
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