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3598-26-3

3598-26-3 structural image
Product Name: 4-(3-hydroxy-1-propen-1-yl)-1,2-benzenediol
Formula: C9H10O3
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COMPUTED DESCRIPTORS

Molecular Weight 166.17 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 166.062994177 g/mol
Monoisotopic Mass 166.062994177 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 156
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

Caffeyl alcohol is a phenylpropanoid that is cinnamyl alcohol in which the hydrogens at positions 3 and 4 on the benzene ring are replaced by hydroxy groups. It is a phenylpropanoid and a member of catechols. It is functionally related to a cinnamyl alcohol.