Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 3 ', '2 . Hydrogen Bond Acceptor Count 4 ', '3 . Rotatable Bond Count 2 ', '4 . TPSA 656 ', '5 . Heavy Atom Count 27 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 555 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 5 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 2']
|
More_Info:
|
['1 . Appearance White 结晶。无气味。有苦味。对光敏感。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)302℃(分解) ', '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)[α]D22 +105°(Water 溶液中) ', '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 约120mlWater 400ml Ethanol ,Water 溶液呈中性。']
|