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636-01-1

636-01-1 structural image
Product Name: 2,5-DIHYDROXYCINNAMIC ACID
Formula: C9H8O4
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COMPUTED DESCRIPTORS

Molecular Weight 180.16 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 180.04225873 g/mol
Monoisotopic Mass 180.04225873 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 212
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

2,5-Dihydroxycinnamic acid is a natural product found in Grevillea robusta with data available.