Molecule ID: 6148806

IUPAC Name: (E)-hept-2-enoate

Description: The molecule is a monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (E)-hept-2-enoic acid. The major species at pH 7.3. It is a conjugate base of an (E)-hept-2-enoic acid.

SMILES: CCCC/C=C/C(=O)[O-]

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

InChI: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/p-1/b6-5+

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.8