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Propanedial

CAT: 0931-TYD-02878-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02878-02Size:50 mg
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CAS Number
542-78-9
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Propanedial is one of the final products of lipid peroxidation and is frequently utilized to assess lipid peroxidation reactions.
Smiles
O=CCC=O
Molecular Formula
C3H4O2
Molecular Weight
72.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Malonaldehyde

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.

CAS Number542-78-9
PubChem CID10964
IUPAC Namepropanedial
Molecular FormulaC3H4O2
Molecular Weight72.06
XLogP-0.6
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity34
SMILES
C(C=O)C=O
InChI
InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey
WSMYVTOQOOLQHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malonaldehyde
CAS: 542-78-9
CID: 10964
Formula: C3H4O2
MW: 72.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight72.06
XLogP3-0.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass72.021129366
Monoisotopic Mass72.021129366
Topological Polar Surface Area34.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity34.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-141452-01Propanedial
LCC31808-012- (Benzylsulfanyl) propanedial
HSB67080-012- (2-Methylphenyl) propanedial
APD15361-012- (4-Iodophenyl) propanedial
HSB67078-012- (3-Fluorophenyl) propanedial
HSB67077-012- (2-Bromophenyl) propanedial
SAC10560-012- (2-Fluorophenyl) propanedial
LFA82561-012- (3-Nitrophenyl) propanedial
EXA45378-012- (4-Hydroxyphenyl) propanedial
384956Malondialdehyde (Malondialdehyde, MDA, Malondialdehyde (MDA), Malonic Aldehyde Propanedial, 1,3-Propanedial, Malonaldehyde)

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