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Computational_Chemistry:
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['1 . XlogP 25 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 465 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 148 ', '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 Colourless 结晶or White 结晶性粉末，有轻微香味，稍有涩味。 ', '2 相对. Density（25℃，4℃）1078131 ', '3. Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4. Melting point（ºC）116~118 ', '5. Boiling point（ºC,067kpaor 5 mmHg）2975 ', '6. Refractive index不确定 ', '7. Flash point（ºC）不确定 ', '8. Specific rotation（ºC）不确定 ', '9. Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）不确定 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility Soluble in Water 中，溶解度为0070%（20℃）0075%（25℃）。对光热稳定，无吸湿性。微Soluble in Water 。易Soluble in Ethanol 丙二醇。']
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