|
Computational_Chemistry:
|
['1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 122 ', '7 . Heavy Atom Count 21 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 551 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
More_Info:
|
['1 . Appearance 橙色结晶性粉末 ', '2 . Density（g/L,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）253-254 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 1mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºC）. Specific rotation（）Unknow ', '9 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '10 . Vapor pressure（Pa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,20ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility Soluble in Water and Ethanol ，微Soluble in 丙酮，难Soluble in 其它溶剂。Water 溶液呈棕Yellow 。']
|
