|
Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 4 ', '2 . Hydrogen Bond Acceptor Count 6 ', '3 . Rotatable Bond Count 6 ', '4 . Isotope Atom Count 2 ', '5 . TPSA 130 ', '6 . Heavy Atom Count 34 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 766 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 11 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
|
|
More_Info:
|
['1 . Appearance White to 浅Yellow 结晶or 粉末。有不愉快气味。味苦。 2 . Density（g/mL,25/4 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）230~240°C (subl) ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index30 ° (C=1, H2O) ', '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 ， Ethanol ']
|
