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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :6 ', '6. TPSA 465 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :189 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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More_Info:
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['1 . Appearance ', '2 . Density（g/mL,15℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1） ', '4 . Melting point（ºC）80-82 ', '5 . Boiling point（ºC,Atmospheric pressure）175 ', '6 . Refractive index ', '7 . Flash point（ºC） ', '8 . Spontaneous ignition point or ignition temperature（ºC） ', '9 . Vapor pressure（kPa,25ºC） ', '10 . Saturated vapor pressure（kPa,60ºC） ', '11 . Combustion heat（KJ/mol） ', '12 . Critical temperature（ºC） ', '13 . Critical pressure（KPa） ', '14 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '15 . Upper limit of explosion（%,V/V） ', '16 . Lower limit of explosion（%,V/V） ', '17 . Solubility 微Soluble in Water ']
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