{"ymdb_id":"YMDB01761","created_at":"2011-08-31T03:43:05.000Z","updated_at":"2016-09-08T18:37:05.000Z","name":"Nonanoic acid","cas":"112-05-0","state":"Liquid","melting_point":"12.3 oC","description":"Nonanoic acid is a fatty acid which occurs naturally as esters in the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Nonanoic acid is responsible for cheesy aromas.","experimental_water_solubility":"0.284 mg/mL at 20 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"3.42 [SANGSTER (1993)]","location":null,"synthesis_reference":null,"chebi_id":"29019","hmdb_id":"HMDB00847","kegg_id":"C01092","pubchem_id":"8158","cs_id":"7866","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"nonanoic acid","traditional_iupac":"nonanoic acid","logp":"3.1446021226666656","pka":null,"alogps_solubility":"2.81e-01 g/l","alogps_logp":"3.47","alogps_logs":"-2.75","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"7","polar_surface_area":"37.3","refractivity":"44.876599999999996","polarizability":"19.491900019383042","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"5.229180104974018","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-nonanoate","1-nonanoic acid","1-Octanecarboxylate","1-Octanecarboxylic acid","8-Amino-7-oxononanoate","8-Amino-7-oxononanoic acid","Cirrasol 185a","Hexacid C-9","n-Nonanoate","n-Nonanoic acid","n-Nonoate","n-Nonoic acid","n-Nonylate","n-Nonylic acid","n-Pelargonate","n-Pelargonic acid","Nonanoate","Nonanoic acid","Nonanoic acid vanillylamide","Nonansaeure","Nonivamide","Nonoate","Nonoic acid","Nonylate","Nonylic acid","Pelargate","Pelargic acid","Pelargon","Pelargonate","Pelargonic acid","Pelargonsaeure","Pergonate","Pergonic acid"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}