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.