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104092-72-0

104092-72-0 structural image
Product Name: Amino acid Impurity 18
Formula: C5H8O3
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COMPUTED DESCRIPTORS

Molecular Weight 116.11 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 116.047344113 g/mol
Monoisotopic Mass 116.047344113 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 131
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

2-hydroxy-3-methyl-2-butenoic acid is an alpha,beta-unsaturated monocarboxylic acid that is 3-methylbut-2-enoic acid in which the hydrogen at position 2 has been replaced by a hydroxy group. It is an alpha,beta-unsaturated monocarboxylic acid and a 2-hydroxy monocarboxylic acid. It is functionally related to a 3-methylbut-2-enoic acid. It is a tautomer of a 3-methyl-2-oxobutanoic acid.