{"ymdb_id":"YMDB15996","created_at":"2016-08-03T23:51:31.000Z","updated_at":"2016-09-10T00:52:07.000Z","name":"Ethyl 3-furoate","cas":null,"state":null,"melting_point":null,"description":"Ethyl 3-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. ","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl furan-3-carboxylate","traditional_iupac":"ethyl furan-3-carboxylate","logp":"1.4737762549999998","pka":null,"alogps_solubility":"1.50e+01 g/l","alogps_logp":"1.66","alogps_logs":"-0.97","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"39.44","refractivity":"35.3453","polarizability":"13.81190178913252","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.504320964124995","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}