CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid (needles); [NIOSH] |
---|---|
Color/Form | Solid (needles) |
Melting Point | 72 °C |
LogP | -1.16 |
Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
Chemical Classes | Other Classes -> Aldehydes |
COMPUTED DESCRIPTORS
Molecular Weight | 72.06 g/mol |
---|---|
XLogP3 | -0.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 72.021129366 g/mol |
Monoisotopic Mass | 72.021129366 g/mol |
Topological Polar Surface Area | 34.1 Ų |
Heavy Atom Count | 5 |
Formal Charge | 0 |
Complexity | 34.2 |
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
Malonaldehyde is a dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. It has a role as a biomarker.