Molecule ID: 11615528

IUPAC Name: (2-methylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is o-cresol in which the phenolic hydrogen has been replaced by a sulfo group. It derives from an o-cresol. It is a conjugate acid of an o-cresol sulfate.

SMILES: Cc1ccccc1OS(=O)(=O)O

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

InChI: InChI=1S/C7H8O4S/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 1.8