69526-88-1
Product Name:
2-OXO-2H-1-BENZOPYRAN-7-YL-SULFATE POTASSIUM SALT
Formula:
C9H6O6S
Synonyms:
2-Oxo-2H-1-benzopyran-7-yl-sulfate potassium salt;7-Sulfooxy-2-oxo-2H-1-benzopyran potassium salt
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 242.21 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.98850908 g/mol |
| Monoisotopic Mass | 241.98850908 g/mol |
| Topological Polar Surface Area | 98.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 406 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Umbelliferone sulfate is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group. It has a role as a human xenobiotic metabolite, a human urinary metabolite and a mouse metabolite. It is an aryl sulfate and a member of coumarins. It is functionally related to an umbelliferone. It is a conjugate acid of an umbelliferone sulfate(1-).