{"ymdb_id":"YMDB02309","created_at":"2012-06-08T21:50:50.000Z","updated_at":"2016-09-08T18:37:49.000Z","name":"Tropic acid","cas":"552-63-6","state":"Solid","melting_point":"118 oC","description":"Tropic acid is a chemical with IUPAC name 3-hydroxy-2-phenylpropanoic acid and condensed structural formula HOCH2CHPhCOOH. It is a laboratory reagent used in the chemical synthesis of atropine and hyoscyamine. Tropic acid is a chiral substance, existing as either a racemic mixture or as a single enantiomer.","experimental_water_solubility":"20 mg/mL at 25 oC [MERCK INDEX (1996)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"30765","hmdb_id":null,"kegg_id":"C01456","pubchem_id":"10726","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-hydroxy-2-phenylpropanoic acid","traditional_iupac":"(+-)-tropic acid","logp":"0.873209227","pka":"15.432730979925044","alogps_solubility":"1.04e+01 g/l","alogps_logp":"0.77","alogps_logs":"-1.21","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"57.53","refractivity":"43.714800000000004","polarizability":"16.640586556983795","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-2.734883125699896","pka_strongest_acidic":"4.3002717158876855","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+-)-tropic acid","2-phenylhydracrylic acid","3-hydroxy-2-phenylpropionic acid","alpha-(hydroxymethyl)benzeneacetic acid","alpha-(Hydroxymethyl)phenylacetic acid","alpha-phenyl-beta-hydroxypropionic acid","beta-hydroxyhydratropic acid","Tropate","Tropic acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}