Molecule ID: 135563665

IUPAC Name: 2-oxododecanoate

Description: The molecule is an oxo fatty acid anion resulting from the deprotonation of the carboxy group of 2-oxododecanoic acid. The major species at pH 7.3. It is a conjugate base of a 2-oxododecanoic acid. It is a tautomer of a 2-hydroxydodec-2-enoate.

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

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

InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 4.2