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53560-26-2

53560-26-2 structural image
Product Name: 3-(3,4,5-TRIMETHOXY-PHENYL)-PROPAN-1-OL
Formula: C12H18O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1804

COMPUTED DESCRIPTORS

Molecular Weight 226.27 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 226.12050905 g/mol
Monoisotopic Mass 226.12050905 g/mol
Topological Polar Surface Area 47.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 172
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

3-(3,4,5-Trimethoxyphenyl)propan-1-ol is a natural product found in Croton lechleri and Acorus gramineus with data available.