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3172-99-4

3172-99-4 structural image
Product Name: 3,9-DI-O-METHYLCOUMESTROL
Formula: C17H12O5
Synonyms: 7,12-Dimethoxy-coumestan
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 296.27 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 296.06847348 g/mol
Monoisotopic Mass 296.06847348 g/mol
Topological Polar Surface Area 57.9 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 439
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

Coumestrol dimethyl ether is a natural product found in Bobgunnia madagascariensis and Dalbergia decipularis with data available.