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542-78-9

542-78-9 structural image
Product Name: propanedial
Formula: C3H4O2
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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.