Molecule ID: 7489

IUPAC Name: terephthalic acid

Description: The molecule is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-).

SMILES: O=C(O)c1ccc(C(=O)O)cc1

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

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

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.0