1.0 2016-09-30 23:26:12 UTC 2020-04-22 15:18:38 UTC BMDB0006803 BMDB06803 2-Propyn-1-al Formylacetylene Propargylaldehyde Propioaldehyde Propiolaldehyde 2-Propyn-1-al C3H2O 54.0474 54.010564686 prop-2-ynal propiolaldehyde 624-67-9 O=CC#C InChI=1S/C3H2O/c1-2-3-4/h1,3H IJNJLGFTSIAHEA-UHFFFAOYSA-N belongs to the class of organic compounds known as acetylides. Acetylides are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. Organic compounds Acetylides Acetylides Hydrocarbon derivatives Organic oxides Short-chain aldehydes Acetylide Aldehyde Aliphatic acyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Short-chain aldehyde Aliphatic acyclic compounds terminal acetylenic compound ynal Solid logp -0.19 ALOGPS logs -1.70 ALOGPS logp 0.023 ChemAxon pka_strongest_acidic 18.84 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac prop-2-ynal ChemAxon average_mass 54.0474 ChemAxon mono_mass 54.010564686 ChemAxon smiles O=CC#C ChemAxon formula C3H2O ChemAxon inchi InChI=1S/C3H2O/c1-2-3-4/h1,3H ChemAxon inchikey IJNJLGFTSIAHEA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 14.86 ChemAxon polarizability 4.92 ChemAxon rotatable_bond_count 0 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::CMs 24627 Specdb::CMs 149691 Specdb::MsIr 2424 Specdb::MsMs 320533 Specdb::MsMs 320534 Specdb::MsMs 320535 Specdb::MsMs 367915 Specdb::MsMs 367916 Specdb::MsMs 367917 Specdb::MsMs 2351650 Specdb::MsMs 2351651 Specdb::MsMs 2351652 Specdb::MsMs 2584505 Specdb::MsMs 2584506 Specdb::MsMs 2584507 Specdb::NmrOneD 91572 Specdb::NmrOneD 91573 Specdb::NmrOneD 91574 Specdb::NmrOneD 91575 Specdb::NmrOneD 91576 Specdb::NmrOneD 91577 Specdb::NmrOneD 91578 Specdb::NmrOneD 91579 Specdb::NmrOneD 91580 Specdb::NmrOneD 91581 Specdb::NmrOneD 91582 Specdb::NmrOneD 91583 Specdb::NmrOneD 91584 Specdb::NmrOneD 91585 Specdb::NmrOneD 91586 Specdb::NmrOneD 91587 Specdb::NmrOneD 91588 Specdb::NmrOneD 91589 Specdb::NmrOneD 91590 Specdb::NmrOneD 91591 FDB024089 11721 C05985 12222 27976