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More_Info:
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['1 . Melting point（ºC）不确定 ', '2 . Boiling point（ºC,067kpaor 5 mmHg）不确定 ', '3 . Refractive index不确定 ', '4 . Flash point（ºC）不确定 ', '5 . Specific rotation（ºC）不确定 ', '6 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '7 . Vapor pressure（kPa,25ºC）不确定 ', '8 . Saturated vapor pressure（kPa,60ºC）不确定 ', '9 . Combustion heat（KJ/mol）不确定 ', '10 . Critical temperature（ºC）不确定 ', '11 . Critical pressure（KPa）不确定 ', '12 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '13 . Upper limit of explosion（%,V/V）不确定 ', '14 . Lower limit of explosion（%,V/V）不确定 ', '15 . Solubility 易Soluble in Water ，微Soluble in Ethanol ，Insoluble in Ethyl ether or 苯。']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 997 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :466 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
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