Molecule ID: 4342039

IUPAC Name: (4-methyl-2-oxochromen-7-yl) sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of 4-methylumbelliferone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 4-methylumbelliferone sulfate.

SMILES: Cc1cc(=O)oc2cc(OS(=O)(=O)[O-])ccc12

SELFIES: [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Ring1][S][Ring1][O]

InChI: InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.2