Molecule ID: 5312586

IUPAC Name: (E)-non-2-enoic acid

Description: The molecule is a monounsaturated fatty acid that is nonanoic acid which has undergone dehydrogenation to introduce a trans double bond at the 2-3 position. It is a medium-chain fatty acid, a monounsaturated fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from an (E)-non-2-en-1-ol. It is a conjugate acid of an (E)-non-2-enoate.

SMILES: CCCCCC/C=C/C(=O)O

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

InChI: InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.2