Molecule ID: 22935151

IUPAC Name: (2-methylphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of o-cresol hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of an o-cresol hydrogen 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-1]

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

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 1.7