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Computational_Chemistry:
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['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 202 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 708 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃） 09208 ', '3相对. Density（20℃，4℃）09250 ', '4 . Melting point（ºC）-4 ', '5 . Boiling point（ºC,Atmospheric pressure）1665 ', '6 常温. Refractive index（n20）14616 ', '7 . Refractive index 1461 ', '8 常温. Refractive index（n25）14597 ', '9 . Specific rotation（º）无可用 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-44028 ', '11 气相标准声称热(焓)( kJ·mol-1) -3525 ', '12 液相标准. Combustion heat(焓)(kJ·mol-1)-43396 ', '13 液相标准声称热(焓)( kJ·mol-1)-4157 ', '14 液相标准热熔(J·mol-1·K-1)2644 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V） 无可用 ', '19 . Solubility 无可用']
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