1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:15 UTC FDB019999 1-(2-Furanyl)-1-propanone Constituent of fruits of Psidium guajava (guava), Zizania aquatica seed (wild rice) and Ceratonia siliqua (carob bean), and of baked potato, and cooked meat (sukiyaki) volatiles. 1-(2-Furanyl)-1-propanone is found in many foods, some of which are animal foods, fruits, cereals and cereal products, and potato. 1-(2-Furanyl)-propanone 1-(2-Furyl)-1-propanone 1-(2-Furyl)propan-1-one 1-Furan-2-yl-propan-1-one 1-Propanone, 1-(2-furanyl)- 1-Propanone, 1-(2-furyl)- 2-Furyl ethyl ketone 2-Propanoylfuran 2-Propionylfuran Ethyl 2-furyl ketone Ethyl furyl ketone Ethylfurylketone Furyl ethyl ketone C7H8O2 124.1372 124.0524295 1-(furan-2-yl)propan-1-one 1-propanone, 1-(2-furanyl)- 3194-15-8 CCC(=O)C1=CC=CO1 InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3 HCPORNAVHSWTOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle logp 1.39 ALOGPS logs -1.02 ALOGPS solubility 1.18e+01 g/l ALOGPS melting_point Mp 28-29° logp 1.29 ChemAxon pka_strongest_acidic 14.96 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-(furan-2-yl)propan-1-one ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles CCC(=O)C1=CC=CO1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3 ChemAxon inchikey HCPORNAVHSWTOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 33.48 ChemAxon polarizability 12.99 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1929 Specdb::CMs 13351 Specdb::CMs 28539 Specdb::CMs 28889 Specdb::CMs 102113 Specdb::CMs 102114 Specdb::CMs 146475 Specdb::MsIr 8885 Specdb::MsIr 8886 Specdb::MsMs 10061 Specdb::MsMs 10062 Specdb::MsMs 10063 Specdb::MsMs 16733 Specdb::MsMs 16734 Specdb::MsMs 16735 Specdb::MsMs 2786467 Specdb::MsMs 2786468 Specdb::MsMs 2786469 Specdb::MsMs 2923273 Specdb::MsMs 2923274 Specdb::MsMs 2923275 Specdb::NmrOneD 39562 Specdb::NmrOneD 39563 Specdb::NmrOneD 39564 Specdb::NmrOneD 39565 Specdb::NmrOneD 39566 Specdb::NmrOneD 39567 Specdb::NmrOneD 39568 Specdb::NmrOneD 39569 Specdb::NmrOneD 39570 Specdb::NmrOneD 39571 Specdb::NmrOneD 39572 Specdb::NmrOneD 39573 Specdb::NmrOneD 39574 Specdb::NmrOneD 39575 Specdb::NmrOneD 39576 Specdb::NmrOneD 39577 Specdb::NmrOneD 39578 Specdb::NmrOneD 39579 Specdb::NmrOneD 39580 Specdb::NmrOneD 39581 HMDB40280 #<Reference:0x000055ce31ef6438> Blackberry Type 1 specific Rubus Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Potato Type 1 specific Solanum tuberosum 4113