Molecule ID: 22473

IUPAC Name: (2-methoxyphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is catechol in which the two phenolic hydrogens are replaced by methyl and sulfo groups. It is an aryl sulfate and a monomethoxybenzene. It derives from a catechol. It is a conjugate acid of a guaiacol sulfate(1-).

SMILES: COc1ccccc1OS(=O)(=O)O

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

InChI: InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 0.7