Molecule ID: 454064

IUPAC Name: 3-oxotetradecanoic acid

Description: The molecule is a C14, long-chain fatty acid carrying an oxo- group at position 3. It is a long-chain fatty acid and a 3-oxo fatty acid. It derives from a tetradecanoic acid.

SMILES: CCCCCCCCCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.8