{"ymdb_id":"YMDB01695","created_at":"2011-08-31T03:36:48.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Furylacetone","cas":"6975-60-6","state":"Solid","melting_point":"29 oC","description":"Furylacetone is a compound responsible for vanilla aroma obtained from oak.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"228583","cs_id":"198955","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-(furan-2-yl)propan-2-one","traditional_iupac":"2-propanone, 1-(2-furanyl)-","logp":"1.0008662719999997","pka":null,"alogps_solubility":"1.31e+01 g/l","alogps_logp":"0.82","alogps_logs":"-0.98","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"30.21","refractivity":"33.3076","polarizability":"12.737351731428811","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.8991849618532535","pka_strongest_acidic":"13.041420364537938","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(2-Furyl)-2-propanone","1-(2-Furyl)-2-propanone","1-(2-furyl)acetone","2-Acetonylfuran","2-Furfuryl methyl ketone","2-Furylacetone","2-Propanone, 1-(2-furanyl)-","2-Propanone, 1-(2-furyl)-","Furfuryl methyl ketone","Methyl furfuryl ketone"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}