Molecule ID: 86962

IUPAC Name: 2-oxoheptanedioic acid

Description: The molecule is an oxo dicarboxylic acid that is pimelic acid carrying a single oxo substituent at position 2. It derives from a pimelic acid. It is a conjugate acid of a 2-oxopimelate(2-).

SMILES: O=C(O)CCCCC(=O)C(=O)O

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

InChI: InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: -0.2