Molecule ID: 3083879

IUPAC Name: (2-hydroxyphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group. It has a role as a xenobiotic. It is an aryl sulfate and a member of phenols. It derives from a catechol. It is a conjugate acid of a pyrocatechol sulfate(1-).

SMILES: O=S(=O)(O)Oc1ccccc1O

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

InChI: InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 92.2 Ų
- LogP: 0.4