| Computational_Chemistry: | ['1 . XlogP -27   ', '2 . Hydrogen Bond Donor Count 5  ', '3 . Hydrogen Bond Acceptor Count 11  ', '4 . Rotatable Bond Count 4  ', '5 . Isotope Atom Count 3  ', '6 . TPSA 186  ', '7 . Heavy Atom Count 23  ', '8 . Topological Polar Surface Area 0  ', '9 . Complexity 481  ', '10 . Isotope Atom Count 0  ', '11 . Defined Atom Stereocenter Count 4  ', '12 . Undefined Atom Stereocenter Count 0  ', '13 . Defined Bond Stereocenter Count 0  ', '14 . Undefined Bond Stereocenter Count 0  ', '15 . Covalently-Bonded Unit Count 1'] | 
                                                    
                                                        
                                                            | More_Info: | ['一物性数据   ', '1 . Appearance  White 结晶or 粉末,无气味,微咸。,湿敏感。  ', '2 . Density(g/mL,25/4℃)不确定  ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定  ', '4 . Melting point(ºC)197℃(分解)。  ', '5 . Boiling point(ºC,Atmospheric pressure)不确定  ', '6 . Boiling point(ºC,52kPa)不确定  ', '7 . Refractive index不确定  ', '8 . Flash point(ºC)不确定  ', '9 . Specific rotation(º)[α]D20 -43±2°(C=05,05mol/L磷酸氢二钠溶液中)。  ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定  ', '11 . Vapor pressure(kPa,25ºC)不确定  ', '12 . Saturated vapor pressure(kPa,60ºC)不确定  ', '13 . Combustion heat(KJ/mol)不确定  ', '14 . Critical temperature(ºC)不确定  ', '15 . Critical pressure(KPa)不确定  ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定  ', '17 . Upper limit of explosion(%,V/V)不确定  ', '18 . Lower limit of explosion(%,V/V)不确定  ', '19 . Solubility 微Soluble in  Ethanol and 沸Water ,Insoluble in  Ethyl ether '] |