2.0 2015-09-08 17:48:22 -0600 2015-10-15 16:13:23 -0600 ECMDB24009 M2MDB006126 (R)-3-Hydroxybutyric acid (R)-3-Hydroxybutyrate C4H8O3 104.1045 104.047344122 (3R)-3-hydroxybutanoic acid (-)-3-hydroxybutyric acid C[C@@H](O)CC(O)=O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 WHBMMWSBFZVSSR-GSVOUGTGSA-N logp -0.50 ALOGPS logs 0.71 ALOGPS solubility 5.39e+02 g/l ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 4.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (3R)-3-hydroxybutanoic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles C[C@@H](O)CC(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 ChemAxon inchikey WHBMMWSBFZVSSR-GSVOUGTGSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 23.46 ChemAxon polarizability 9.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26212 Specdb::CMs 30136 Specdb::CMs 37241 Specdb::CMs 99520 Specdb::CMs 133294 Specdb::CMs 141028 Specdb::CMs 1046881 Specdb::CMs 1046882 Specdb::CMs 1046884 Specdb::CMs 1046886 Specdb::CMs 1046888 Specdb::EiMs 2010 Specdb::NmrOneD 1027 Specdb::NmrOneD 5332 Specdb::NmrOneD 5333 Specdb::NmrOneD 5334 Specdb::NmrOneD 5335 Specdb::NmrOneD 5336 Specdb::NmrOneD 5337 Specdb::NmrOneD 5338 Specdb::NmrOneD 5339 Specdb::NmrOneD 5340 Specdb::NmrOneD 5341 Specdb::NmrOneD 5342 Specdb::NmrOneD 5343 Specdb::NmrOneD 5344 Specdb::NmrOneD 5345 Specdb::NmrOneD 5346 Specdb::NmrOneD 5347 Specdb::NmrOneD 5348 Specdb::NmrOneD 5349 Specdb::NmrOneD 5350 Specdb::NmrOneD 5351 Specdb::MsMs 16 Specdb::MsMs 17 Specdb::MsMs 18 Specdb::MsMs 2526 Specdb::MsMs 2527 Specdb::MsMs 2528 Specdb::MsMs 2529 Specdb::MsMs 2530 Specdb::MsMs 324085 Specdb::MsMs 324086 Specdb::MsMs 324087 Specdb::MsMs 372409 Specdb::MsMs 372410 Specdb::MsMs 372411 Specdb::MsMs 437816 Specdb::MsMs 437817 Specdb::MsMs 437818 Specdb::MsMs 437819 Specdb::MsMs 437820 Specdb::MsMs 440114 Specdb::MsMs 2233646 Specdb::MsMs 2252490 Specdb::MsMs 2253978 Specdb::MsMs 2254601 Specdb::MsMs 2255993 Specdb::NmrTwoD 920