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Computational_Chemistry:
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['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 118 ', '7. Heavy Atom Count :44 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1000 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :6 ', '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 长棱柱状结晶or White 粉末。无气味。 2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC）264~265 5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 52 kPa）Unknow ', '7 . Refractive index177 ° (C=1, DMF) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-118°(氯仿)，-164°(c=096，吡啶) ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25 ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60 ºC）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 易Soluble in 氯仿（约1g/6ml）四氯甲烷冰乙酸，Soluble in 苯乙酸乙酯，微Soluble in 丙酮甲醇 Ethanol （1g/1800ml） Ethyl ether 乙酸溶液and 柠檬酸溶液，极微Soluble in Water 。']
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