Molecule ID: 10457

IUPAC Name: octanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. It has a role as a human metabolite. It is a conjugate acid of a suberate(2-) and a suberate.

SMILES: O=C(O)CCCCCCC(=O)O

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

InChI: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.0