7-(Sulfooxy)-2H-1-benzopyran-2-one
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7-(Sulfooxy)-2H-1-benzopyran-2-one
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CAS No:
69526-88-1
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Formula:
C9H6O6S
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Chemical Name:
7-(Sulfooxy)-2H-1-benzopyran-2-one
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Synonyms:
2H-1-Benzopyran-2-one,7-(sulfooxy)-;7-(Sulfooxy)-2H-1-benzopyran-2-one;7-Hydroxycoumarin sulfate;Umbelliferone sulfate
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CAS No:
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Umbelliferone sulfate is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group.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 derives from an umbelliferone. It is a conjugate acid of an umbelliferone sulfate(1-).
Safety Information
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:242.21
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:241.98850908
Monoisotopic Mass:241.98850908
Topological Polar Surface Area:98.3
Heavy Atom Count:16
Complexity:406
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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