Molecule ID: 3417835

IUPAC Name: 4-propan-2-ylbenzoate

Description: The molecule is a cumate that is the conjugate base of p-cumic acid. It has a role as a plant metabolite. It is a conjugate base of a p-cumic acid.

SMILES: CC(C)c1ccc(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/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 4.0