4-Methylumbelliferyl sulfate
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4-Methylumbelliferyl sulfate
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CAS No:
25892-63-1
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Formula:
C10H8O6S
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Chemical Name:
4-Methylumbelliferyl sulfate
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Synonyms:
2H-1-Benzopyran-2-one,4-methyl-7-(sulfooxy)-;Coumarin,7-hydroxy-4-methyl-,hydrogen sulfate;4-Methyl-7-(sulfooxy)-2H-1-benzopyran-2-one;4-Methylumbelliferone sulfate;4-Methylumbelliferyl sulfate;Hymecromone 7-O-sulfate
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CAS No:
Description
4-methylumbelliferone sulfate is a member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone. It has a role as a human xenobiotic metabolite. It is an aryl sulfate and a member of coumarins. It derives from an umbelliferone sulfate and a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone sulfate(1-).
Computed Properties
Molecular Weight:256.23
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:256.00415914
Monoisotopic Mass:256.00415914
Topological Polar Surface Area:98.3
Heavy Atom Count:17
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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