1.0 2016-09-30 23:04:03 UTC 2020-04-22 15:12:07 UTC BMDB0003366 BMDB03366 Propanal 1-Propanal Aldehyde propionique C2H5CHO Methylacetaldehyde N-Propanal N-Propionaldehyde Propaldehyde Propanaldehyde Propional Propionaldehyde Propionic aldehyde Propyl aldehyde Propylaldehyde Propylic aldehyde 1-Propanone Propanalaldehyde Proprionaldehyde Propionaldehyde, 1-14C-labeled Propionaldehyde, 2-14C-labeled C3H6O 58.0791 58.041864814 propanal propionaldehyde 123-38-6 CCC=O InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 NBBJYMSMWIIQGU-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Short-chain aldehydes Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Organic oxide Short-chain aldehyde Aliphatic acyclic compounds alpha-CH2-containing aldehyde an <i>n</i>-alkanal propanals Liquid melting_point -80 °C water_solubility 306 mg/mL at 25 °C logp 0.59 HANSCH,C ET AL. (1995) logp 0.31 ALOGPS logs 0.40 ALOGPS logp 0.32 ChemAxon pka_strongest_acidic 17.32 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac propanal ChemAxon average_mass 58.0791 ChemAxon mono_mass 58.041864814 ChemAxon smiles CCC=O ChemAxon formula C3H6O ChemAxon inchi InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 ChemAxon inchikey NBBJYMSMWIIQGU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 16.35 ChemAxon polarizability 6.36 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 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 Specdb::NmrTwoD 1892 Specdb::NmrOneD 1959 Specdb::NmrOneD 3821 Specdb::NmrOneD 4086 Specdb::NmrOneD 166546 Specdb::EiMs 1697 Specdb::CMs 3380 Specdb::CMs 28076 Specdb::CMs 99811 Specdb::CMs 173884 Specdb::MsMs 2271 Specdb::MsMs 2272 Specdb::MsMs 2273 Specdb::MsMs 5922 Specdb::MsMs 20798 Specdb::MsMs 20799 Specdb::MsMs 20800 Specdb::MsMs 22349 Specdb::MsMs 22350 Specdb::MsMs 22351 Specdb::MsMs 2775551 Specdb::MsMs 2775552 Specdb::MsMs 2775553 Specdb::MsMs 2905821 Specdb::MsMs 2905822 Specdb::MsMs 2905823 Specdb::MsIr 1955 Specdb::MsIr 1956 C00479 512 FDB012083 527 17153 CPD-665 Propanal 6906 Wang, Yan-bin; Yao, Xiao-ming. Development of the process of making propanal from natural gas and light oil. Tianranqi Huagong (2003), 28(1), 8-10,14.