|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count ', '6 . TPSA 135 ', '7 . Heavy Atom Count 31 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 550 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 3 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 3']
|
|
More_Info:
|
['1 . Appearance 略有异臭的White or 类White 结晶粉末 ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）159-160 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）)。[α]436nm25-96°(C=1，025mol/L pH=64的乙酸锌溶液) ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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 (mg/m1)Water 97，甲醇14， Ethanol ＜01，丙酮＜01，乙腈＜01，氯仿＜01，二甲基甲酰胺＜01。几Insoluble in Ethyl ether ']
|
