Molecule ID: 8496

IUPAC Name: benzene-1,3-dicarboxylic acid

Description: The molecule is a benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. It is a conjugate acid of an isophthalate(1-).

SMILES: O=C(O)c1cccc(C(=O)O)c1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]

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

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.7