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111394-44-6

111394-44-6 structural image
Product Name: (Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Phenol
Formula: C17H16O5
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COMPUTED DESCRIPTORS

Molecular Weight 300.30 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 300.09977361 g/mol
Monoisotopic Mass 300.09977361 g/mol
Topological Polar Surface Area 57.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 385
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol is a natural product found in Combretum caffrum with data available.