Molecule ID: 4684006

IUPAC Name: (4-acetylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is 4-acetylphenol in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate and a member of acetophenones. It derives from a 4'-hydroxyacetophenone. It is a conjugate acid of a 4-acetylphenyl sulfate.

SMILES: CC(=O)c1ccc(OS(=O)(=O)O)cc1

SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O]

InChI: InChI=1S/C8H8O5S/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-5H,1H3,(H,10,11,12)

Molecular Properties:
- Polar Surface Area: 89.0 Ų
- LogP: 0.8