Molecule ID: 181671

IUPAC Name: (2-acetamidophenyl) hydrogen sulfate

Description: The molecule is an aromatic amide that is 2-aminophenol in which one of the amino hydrogens has been replaced by an acetyl group and the phenolic hydrogen replaced by a sulfo group. It is an aryl sulfate, a member of acetamides and an aromatic amide. It derives from a 2-aminophenol. It is a conjugate acid of a 2-acetamidophenol sulfate(1-).

SMILES: CC(O)=Nc1ccccc1OS(=O)(=O)O

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

InChI: InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.2