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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 3 ', '3 . Rotatable Bond Count 7 ', '4 . TPSA 277 ', '5 . Heavy Atom Count 12 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 915 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance Colourless Liquid ,有特殊气味,在潮湿Atmosphere 中级慢分解。 ', '2 . Density(g/mL,25/4℃)086 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)108-113℃ ', '5 . Boiling point(ºC,Atmospheric pressure)159℃ ', '6 . Boiling point(ºC,52kPa)不确定 ', '7 . Refractive index13853 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility Insoluble in Water ,可混Soluble in 醇醚等。']
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