Molecule ID: 6101

IUPAC Name: 4-methylbenzenesulfonic acid

Description: The molecule is an arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. It is a member of toluenes and an arenesulfonic acid. It is a conjugate acid of a toluene-4-sulfonate.

SMILES: Cc1ccc(S(=O)(=O)O)cc1

SELFIES: [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 62.8 Ų
- LogP: 1.7