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Computational_Chemistry:
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['1 . XlogP 53 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 10 ', '4 . Rotatable Bond Count 31 ', '5 . TPSA 133 ', '6 . Heavy Atom Count 42 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 632 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 4 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 淡Yellow to 琥珀色油状黏稠Liquid ', '2 . Density（g/mL,20℃）106～110 ', '3 . Relative vapor density（g/mL,Atmosphere =1）100±005 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）>100 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index14756 ', '8 . Flash point（ºC） 10 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）>110 ', '11 . Vapor pressure（kPa,20ºC）0133 ', '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 Insoluble in 矿物油，Soluble in 玉米油二氧六环溶纤素甲醇 Ethanol 醋酸乙酯苯胺及甲苯石油醚棉子油丙酮四氯化碳。还Soluble in 5%尝试的硫酸，氢氧化钠硫酸钠and 氯化铝中，在Water Ethyl ether 乙二醇中呈分散状。']
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