7-(Sulfooxy)-2H-1-benzopyran-2-one
(2-oxochromen-7-yl) hydrogen sulfate
Also Known As: Umbelliferone sulfate|7-sulfooxycoumarin|7-(Sulfooxy)coumarin|7-Hydroxycoumarin sulfate ester|7-hydroxycoumarin sulfate|2H-1-Benzopyran-2-one, 7-(sulfooxy)-|(2-oxochromen-7-yl) hydrogen sulfate|7-HYDROXY COUMARIN SULFATE|2-Oxo-2H-chromen-7-yl hydrogen sulfate|7-(Sulfooxy)-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one,7-(sulfooxy)-|2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate|(2-oxo-2H-chromen-7-yl)oxidanesulfonic acid|Sulfuric acid 2-oxo-2H-1-benzopyran-7-yl ester|Sulfuric acid hydrogen 2-oxo-2H-1-benzopyran-7-yl ester
| Molecular Formula | C9H6O6S |
|---|---|
| Molecular Weight | 241.98851 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.98851 |
| Monoisotopic Mass | 241.98851 |
| Heavy Atoms | 16 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 7151-26-0 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)O |
| InChIKey | LJOOSFYJELZGMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Sulfooxy)-2H-1-benzopyran-2-one (CAS 7151-26-0), with molecular formula C9H6O6S and molecular weight 241.98851 g/mol. IUPAC: (2-oxochromen-7-yl) hydrogen sulfate.