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Molecular_Structure:
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['1 . Molar refractive index 3156 ', '2 . Molar volume （m3/mol） 计算化学数据 纠错 | 编辑 ', ' ', '1疏水参数计算参考值（XlogP）:05 ', '2氢键供体数量:1 ', '3氢键受体数量:3 ', '4可旋转化学键数量:0 ', '5互变异构体数量:2 ', '6拓扑分子极性表面积518 ', '7重原子数量:8 ', '8表面电荷:0 ', '9复杂度:697 ', '10同位素原子数量:0 ', '11确定原子立构中心数量:0 ', '12不确定原子立构中心数量:0 ', '13确定化学键立构中心数量:0 ', '14不确定化学键立构中心数量:0 ', '15共价键单元数量:1']
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）238 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '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 Unknow']
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