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.