1.0 2026-09-22 01:08:16 UTC 2026-09-22 01:08:16 UTC FDB117454 ACRYLONITRILE prop-2-enenitrile C3H3N 53.0626 53.026549101 prop-2-enenitrile acrylonitrile C=CC#N InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 NLHHRLWOUZZQLW-UHFFFAOYSA-N belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. Nitriles Organic compounds Organic nitrogen compounds Organonitrogen compounds Organic cyanides Aliphatic acyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Carbonitrile Hydrocarbon derivative Nitrile Organopnictogen compound Fumigants a nitrile aliphatic nitrile logp 0.20 ALOGPS logs -0.55 ALOGPS solubility 1.48e+01 g/l ALOGPS logp 0.76 ChemAxon iupac prop-2-enenitrile ChemAxon average_mass 53.0626 ChemAxon mono_mass 53.026549101 ChemAxon smiles C=CC#N ChemAxon formula C3H3N ChemAxon inchi InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 ChemAxon inchikey NLHHRLWOUZZQLW-UHFFFAOYSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 16.27 ChemAxon polarizability 5.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115228 Specdb::CMs 129531 Specdb::EiMs 500 Specdb::MsMs 87147 Specdb::MsMs 87148 Specdb::MsMs 87149 Specdb::MsMs 149595 Specdb::MsMs 149596 Specdb::MsMs 149597 Specdb::MsMs 3413522 Specdb::MsMs 3413523 Specdb::MsMs 3413524 Specdb::MsMs 3413525 Specdb::MsMs 3413526 Specdb::MsMs 3413527 Specdb::NmrOneD 2103 Specdb::NmrOneD 2797 Specdb::NmrOneD 206627 Specdb::NmrOneD 206628 Specdb::NmrOneD 206629 Specdb::NmrOneD 206630 Specdb::NmrOneD 206631 Specdb::NmrOneD 206632 Specdb::NmrOneD 206633 Specdb::NmrOneD 206634 Specdb::NmrOneD 206635 Specdb::NmrOneD 206636 Specdb::NmrOneD 206637 Specdb::NmrOneD 206638 Specdb::NmrOneD 206639 Specdb::NmrOneD 206640 Specdb::NmrOneD 206641 Specdb::NmrOneD 206642 Specdb::NmrOneD 206643 Specdb::NmrOneD 206644 Specdb::NmrOneD 206645 Specdb::NmrOneD 206646