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109170-71-0

109170-71-0 structural image
Product Name: 3,4-Dihydroxyphenylpyruvic acid
Formula: C9H8O5
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COMPUTED DESCRIPTORS

Molecular Weight 196.16 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 196.03717335 g/mol
Monoisotopic Mass 196.03717335 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 237
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

3,4-dihydroxyphenylpyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group. It has a role as a metabolite. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3,4-dihydroxyphenylpyruvate.