{"ymdb_id":"YMDB16029","created_at":"2016-08-03T23:52:06.000Z","updated_at":"2016-09-12T20:54:09.000Z","name":"Isobutyric acid","cas":null,"state":"Liquid","melting_point":null,"description":"Isobutyric acid belongs to the class of chemical entities known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.","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":"2-methylpropanoic acid","traditional_iupac":"isobutyric acid","logp":"1.020176411","pka":null,"alogps_solubility":"1.97e+02 g/l","alogps_logp":"0.78","alogps_logs":"0.35","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"37.3","refractivity":"21.845100000000002","polarizability":"9.116588155592677","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.866878196732949","bioavailability":"1","number_of_rings":"0","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":[]}