Secondary metabolite:Phthalic acid



EOCID000196
Summary

sCentInDB Chemical identifier: EOCID000196

Chemical name: Phthalic acid

Molecular formula: C8H6O4

SMILES: OC(=O)c1ccccc1C(=O)O

InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzoic acids and derivatives


Synonymous chemical name(s):
phthalic acid, 1,2-benzenedicarboxylic acid, bis-1,2-benzenedicarboxylic acid


External chemical identifier(s):
CID:1017, CHEMBL1045, CHEBI:29069, CHEMSPIDER:992, ZINC000000090750, FDASRS:6O7F7IX66E, MOLPORT:000-690-820, SURECHEMBL:SCHEMBL1808


Spectrabase ID:
HL13QHBIO1X


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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