1.0 2016-09-30 23:20:11 UTC 2020-04-22 15:16:51 UTC BMDB0006112 BMDB06112 Malondialdehyde 1,3-Propanedial 1,3-Propanedialdehyde 1,3-Propanedione Malonic aldehyde Malonic dialdehyde Malonodialdehyde Malonyldialdehyde MDA MDD Malonaldehyde Propanedial Malondialdehyde, sodium Malonylaldehyde Sodium malondialdehyde Malondialdehyde C3H4O2 72.0627 72.021129372 propanedial malonaldehyde 542-78-9 O=CCC=O InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 WSMYVTOQOOLQHP-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1,3-dicarbonyl compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Short-chain aldehydes 1,3-dicarbonyl compound Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Organic oxide Short-chain aldehyde Aliphatic acyclic compounds dialdehyde Solid melting_point 72 °C logp 0.10 ALOGPS logs 0.52 ALOGPS logp -0.65 ChemAxon pka_strongest_acidic 6.68 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac propanedial ChemAxon average_mass 72.0627 ChemAxon mono_mass 72.021129372 ChemAxon smiles O=CCC=O ChemAxon formula C3H4O2 ChemAxon inchi InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 ChemAxon inchikey WSMYVTOQOOLQHP-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 17.14 ChemAxon polarizability 6.42 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon 10499 DB03057 FDB008116 10964 C19440 566274 Malondialdehyde