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28119-61-1

28119-61-1 structural image
Product Name: 4-hydroxy-2-oxo-butanal
Formula: C4H6O3
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COMPUTED DESCRIPTORS

Molecular Weight 102.09 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 102.031694049 g/mol
Monoisotopic Mass 102.031694049 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 77
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

4-hydroxy-2-oxobutanal is a 2-oxo aldehyde that is 4-hydroxybutanal carrying an oxo group at position 2. It is a degradation product of vitamin C. It has a role as a human xenobiotic metabolite and an antibacterial agent. It is a 2-oxo aldehyde and a beta-hydroxy ketone.