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31082-90-3

31082-90-3 structural image
Product Name: 2,3-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

2,3-dihydroxy-trans-cinnamic acid is a 2,3-dihydroxycinnamic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a trans-cinnamic acid. It is a conjugate acid of a 2,3-dihydroxy-trans-cinnamate.