Molecule ID: 1017

IUPAC Name: phthalic acid

Description: The molecule is a benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a phthalate(1-) and a phthalate.

SMILES: O=C(O)c1ccccc1C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=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)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.7