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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 3 ', '2 . Hydrogen Bond Acceptor Count 6 ', '3 . Rotatable Bond Count 3 ', '4 . TPSA 118 ', '5 . Heavy Atom Count 11 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 157 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 2 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 2']
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More_Info:
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['1 . Appearance Colourless 单斜系晶体or White 结晶粉末。 ', '2 . Density（g/mL,25/4℃）1984 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）267°C (dec) ', '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）325° (c=10, 1N NaOH)。 ', '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 易Soluble in 稀无机酸碱溶液or 硼砂溶液。难Soluble in Water (084g/100ml，25℃)and Ethanol (00001g/100ml，常温)，Soluble in 热Water (69g/100ml，100℃)，难Soluble in Water and Ethanol 。Insoluble in 乙酸。']
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