Molecule ID: 9548789

IUPAC Name: (Z)-12-oxododec-9-enoic acid

Description: The molecule is a C12, omega-oxo fatty acid with a double bond at position 9; found in soybean, a metabolite of both linolenic and linoleic acids. It is an oxo fatty acid and an aldehyde. It derives from a cis-9-dodecenoic acid.

SMILES: O=CC/C=C\CCCCCCCC(=O)O

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

InChI: InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 2.6