Molecule ID: 4488712

IUPAC Name: 6-oxo-3-prop-1-en-2-ylheptanoate

Description: The molecule is a 6-oxo monocarboxylic acid anion that is the conjugate base of 3-isopropenyl-6-oxoheptanoic acid; major species at pH 7.3. It derives from a heptanoate. It is a conjugate base of a 3-isopropenyl-6-oxoheptanoic acid.

SMILES: C=C(C)C(CCC(C)=O)CC(=O)[O-]

SELFIES: [C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][=O][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.9