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55085-47-7

55085-47-7 structural image
Product Name: 5,6,7-Trimethoxycoumarin
Formula: C12H12O5
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COMPUTED DESCRIPTORS

Molecular Weight 236.22 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 236.06847348 g/mol
Monoisotopic Mass 236.06847348 g/mol
Topological Polar Surface Area 54 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 314
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

5,6,7-trimethoxycoumarin is a member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7. It has a role as an antibacterial agent and a metabolite. It is an aromatic ether and a member of coumarins. It is functionally related to a coumarin.