1.0 2020-02-10 19:47:45 UTC 2020-06-04 20:37:55 UTC BMDB0063722 BMDB63722 1-Furan-2-ylpropan-2-one (2-Furyl)-2-propanone (Furyl-2)-1-propanone-2 1-(2-Furyl)-2-propanone 1-(2-Furyl)propan-2-one 2-Acetonylfuran 2-Furfuryl methyl ketone 2-Furylacetone Acetonylfuran FEMA 2496 Furfuryl methyl ketone Furylacetone Methyl furfuryl ketone C7H8O2 124.1372 124.0524295 1-(furan-2-yl)propan-2-one 2-propanone, 1-(2-furanyl)- 6975-60-6 CC(=O)CC1=CC=CO1 InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3 IQOJTGSBENZIOL-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Heteroaromatic compounds Furans Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Carbonyl group Furan Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Aromatic heteromonocyclic compounds logp 0.82 ALOGPS logs -0.98 ALOGPS logp 1 ChemAxon pka_strongest_acidic 13.04 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-(furan-2-yl)propan-2-one ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles CC(=O)CC1=CC=CO1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3 ChemAxon inchikey IQOJTGSBENZIOL-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 33.31 ChemAxon polarizability 12.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 3137 Specdb::CMs 161631 Specdb::MsIr 5784 Specdb::MsIr 5785 Specdb::MsMs 106767 Specdb::MsMs 106768 Specdb::MsMs 106769 Specdb::MsMs 173595 Specdb::MsMs 173596 Specdb::MsMs 173597 Specdb::MsMs 2389073 Specdb::MsMs 2389074 Specdb::MsMs 2389075 Specdb::MsMs 2573201 Specdb::MsMs 2573202 Specdb::MsMs 2573203 Specdb::NmrOneD 4523 Specdb::NmrOneD 4650 Specdb::NmrOneD 116578 Specdb::NmrOneD 116579 Specdb::NmrOneD 116580 Specdb::NmrOneD 116581 Specdb::NmrOneD 116582 Specdb::NmrOneD 116583 Specdb::NmrOneD 116584 Specdb::NmrOneD 116585 Specdb::NmrOneD 116586 Specdb::NmrOneD 116587 Specdb::NmrOneD 116588 Specdb::NmrOneD 116589 Specdb::NmrOneD 116590 Specdb::NmrOneD 116591 Specdb::NmrOneD 116592 Specdb::NmrOneD 116593 Specdb::NmrOneD 116594 Specdb::NmrOneD 116595 Specdb::NmrOneD 116596 Specdb::NmrOneD 116597 198955 FDB010900 228583