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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 3358 ', '2 . Molar volume （m3/mol）1322 ', ' 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:0 ', '3氢键受体数量:3 ', '4可旋转化学键数量:5 ', '5互变异构体数量:无 ', '6拓扑分子极性表面积355 ', '7重原子数量:9 ', '8表面电荷:0 ', '9复杂度:843 ', '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）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）71-75 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index14365 ', '8. Flash point（ºC）71-75 ', '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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