Molecule ID: 9543109

IUPAC Name: 4-prop-1-en-2-ylcyclohexene-1-carboxylate

Description: The molecule is the monocarboxylic acid anion formed by loss of a proton from the carboxy group of perillic acid; principal microspecies at pH 7.3. It is a conjugate base of a perillic acid.

SMILES: C=C(C)C1CC=C(C(=O)[O-])CC1

SELFIES: [C][=C][Branch1][C][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][Ring1][=Branch2]

InChI: InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.3