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Computational_Chemistry:
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['1. XlogP -1 ', '2. Hydrogen Bond Donor Count 3 ', '3. Hydrogen Bond Acceptor Count 6 ', '4. Rotatable Bond Count 4 ', '5. TPSA 112 ', '6. Heavy Atom Count 12 ', '7. Topological Polar Surface Area 0 ', '8. Complexity 251 ', '9. Isotope Atom Count 0 ', '10. Defined Atom Stereocenter Count 0 ', '11. Undefined Atom Stereocenter Count 0 ', '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 White or 微Yellow 粉末or 结晶。有吸湿性。 ', '2 晶相相标准. Combustion heat(焓)(kJ·mol-1)-199409 ', '3 晶相标准声称热(焓)( kJ·mol-1)-122466 ', '4 . Melting point（ºC）126-129 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）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 易Soluble in Water and Ethanol ，微Soluble in Ethyl ether 。加热易转化为反式。']
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