{"ymdb_id":"YMDB02315","created_at":"2012-06-08T21:51:29.000Z","updated_at":"2016-09-11T18:50:40.000Z","name":"2,4-dimethylbenzoic acid","cas":"611-01-8","state":"Solid","melting_point":"90 oC","description":"2,4-Dimethylbenzoic acid belongs to the class of chemical entities known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"11897","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,4-dimethylbenzoic acid","traditional_iupac":"benzoic acid, 2,4-dimethyl-","logp":"2.657671502666666","pka":null,"alogps_solubility":"8.72e-01 g/l","alogps_logp":"2.27","alogps_logs":"-2.24","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"37.3","refractivity":"43.3966","polarizability":"16.150487511967846","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.14674406840097","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["4-Carboxy-1,3-dimethylbenzene"],"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":[]}