Molecule ID: 10657183

IUPAC Name: (2-acetyl-5-hydroxyphenyl) hydrogen sulfate

Description: The molecule is an acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4. It has a role as a mouse metabolite. It is a member of acetophenones, an aryl sulfate and a member of phenols.

SMILES: CC(=O)c1ccc(O)cc1OS(=O)(=O)O

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

InChI: InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.3