Molecule ID: 21999814

IUPAC Name: (4-acetylphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 4-acetylphenyl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 4-acetylphenyl hydrogen 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-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 91.9 Ų
- LogP: 0.7