{"ymdb_id":"YMDB01746","created_at":"2011-08-31T03:41:36.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Methyl succinate","cas":"106-65-0","state":"Liquid","melting_point":"19 oC","description":"Methyl succinate is a major aroma component of Muscat wine.","experimental_water_solubility":"25 mg/mL [KIRK-OTHMER; 1st ed, 5:831]","experimental_logp_hydrophobicity":"0.35 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17413","hmdb_id":null,"kegg_id":"C04106","pubchem_id":"7820","cs_id":"7531","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylpropyl prop-2-enoate","traditional_iupac":"isobutyl acrylate","logp":"2.1564778579999997","pka":null,"alogps_solubility":"4.15e+00 g/l","alogps_logp":"2.14","alogps_logs":"-1.49","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"26.3","refractivity":"35.8047","polarizability":"14.227572109265818","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.7807671484732905","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-(Hydroxymethyl)-4-oxobutanoate","2-(hydroxymethyl)-4-oxobutanoic acid","2-Hydroxymethyl succinate semialdehyde","alpha-Hydroxymethyl succinate semialdehyde","Butanedioic acid, dimethyl ester","CH3OC(O)CH2CH2C(O)OCH3","DBE-4","Dimethyl butanedioate","Dimethyl ester of succinic acid","Dimethyl succinate","Succinic acid, dimethyl ester"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}