| Computational_Chemistry: | ['1 . XlogP 05   ', '2 . Hydrogen Bond Donor Count 1  ', '3 . Hydrogen Bond Acceptor Count 7  ', '4 . Rotatable Bond Count 1  ', '5 . Isotope Atom Count   ', '6 . TPSA 141  ', '7 . Heavy Atom Count 16  ', '8 . Topological Polar Surface Area 0  ', '9 . Complexity 389  ', '10. Isotope Atom Count 0  ', '11. Defined Atom Stereocenter Count 0  ', '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: | ['1 . Appearance 本品为含有三分子Water 的结晶   ', '2 . Density(g/mL,25/4℃)Unknow  ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow  ', '4 . Melting point(ºC)106-108℃;无Water 物. Melting point130℃  ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow  ', '6 . Boiling point(ºC,52kPa)Unknow  ', '7 . Refractive indexUnknow  ', '8 . Flash point(ºC)Unknow  ', '9 . Specific rotation(º)Unknow  ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow  ', '11 . Vapor pressure(kPa,25ºC)Unknow  ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow  ', '13 . Combustion heat(KJ/mol)Unknow  ', '14 . Critical temperature(ºC)Unknow  ', '15 . Critical pressure(KPa)Unknow  ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow  ', '17 . Upper limit of explosion(%,V/V)Unknow  ', '18 . Lower limit of explosion(%,V/V)Unknow  ', '19 . Solubility Soluble in Water and  Ethanol ,Insoluble in 石油醚and 苯。'] |