{"ymdb_id":"YMDB01642","created_at":"2011-08-31T03:31:24.000Z","updated_at":"2016-09-08T18:36:56.000Z","name":"Benzaldehyde-cyanohydrin","cas":"532-28-5","state":"Liquid","melting_point":"-10 oC","description":"Benzaldehyde-cyanohydrin is a compound responsible for cherry like aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"16910","hmdb_id":null,"kegg_id":"C00561","pubchem_id":"10758","cs_id":"10304","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-hydroxy-2-phenylacetonitrile","traditional_iupac":"mandelonitrile","logp":"0.9537845113333332","pka":"19.666910761057423","alogps_solubility":"5.89e+00 g/l","alogps_logp":"0.68","alogps_logs":"-1.35","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"44.019999999999996","refractivity":"37.6831","polarizability":"13.551942157589872","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.200129584931049","pka_strongest_acidic":"11.795695242182852","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Acetonitrile, hydroxyphenyl-","alpha-Cyanobenzyl alcohol","alpha-Hydroxybenzeneacetonitrile","Amygdalonitrile","Benzaldehyde cyanohydrin","Benzaldehyde, cyanohydrin","Benzaldehydkyanhydrin","Benzeneacetonitrile, \u0026alpha","Glycolonitrile, phenyl-","hydroxy(phenyl)acetonitrile","Hydroxybenzyl cyanide","Hydroxyphenylacetonitrile","Mandelic acid nitrile","Mandelonitrile","Nitril kyseliny mandlove","Phenylglycolonitrile"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}