Molecule ID: 18364326

IUPAC Name: 12-oxododecanoate

Description: The molecule is a omega-oxo fatty acid anion that is the conjugate base of 12-oxododecanoic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is an omega-oxo fatty acid anion, an aldehydic acid anion and a medium-chain fatty acid anion. It is a conjugate base of a 12-oxododecanoic acid.

SMILES: O=CCCCCCCCCCCC(=O)[O-]

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

InChI: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11H,1-10H2,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 3.8