Molecule ID: 5242388

IUPAC Name: heptanedioate

Description: The molecule is a dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of pimelic acid. It is a dicarboxylic acid dianion and a pimelate. It is a conjugate base of a pimelate(1-).

SMILES: O=C([O-])CCCCCC(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 1.8