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69526-88-1

69526-88-1 structural image
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
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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Umbelliferone sulfate is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group.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-).