Molecule ID: 5158281

IUPAC Name: 2,5-dimethylbenzoate

Description: The molecule is a dimethylbenzoate in which the two methyl groups are located at positions 2 and 5. It derives from a benzoate. It is a conjugate base of a 2,5-dimethylbenzoic acid.

SMILES: Cc1ccc(C)c(C(=O)[O-])c1

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

InChI: InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1

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