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Computational_Chemistry:
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['1 . XlogP 25 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 131 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 从Water 中析出棱柱晶or 针状晶。 ', '2 . Density（g/mL,25℃）1062 ', '3 相对. Density（25℃，4℃）1062115 ', '4 . Melting point（ºC）103~105 ', '5 . Boiling point（ºC,Atmospheric pressure）2585751 ', '6 . Boiling point（ºC,999kPa）258~259 ', '7 . Refractive index(n115D)1512 ', '8 . Flash point（ºC）148 ', '9 常温. Refractive index（n25）1512115 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-397129 ', '11 气相标准声称热(焓)( kJ·mol-1) -30212 ', '12 晶相相标准. Combustion heat(焓)(kJ·mol-1)-387459 ', '13 晶相标准声称热(焓)( kJ·mol-1)-41652 ', '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 微Soluble in Water ，易Soluble in Ethanol 氯仿。']
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