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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 :2 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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 为Colourless Liquid ', '2 . Density(g/mL,15℃)0879 ', '3 相对. Density(25℃,4℃)08270866 ', '4 . Melting point(ºC)-38 ', '5 . Boiling point(ºC,Atmospheric pressure)2645 ', '6 . Refractive index1439 ', '7 . Flash point(ºC)110 ', '8 相对. Density(20℃,4℃)08788 ', '9 . Vapor pressure(kPa,25ºC)105 ', '10 常温. Refractive index(n25)14449 ', '11 . Combustion heat(KJ/mol)Unknow ', '12 . Critical temperature(ºC)Unknow ', '13 . Critical pressure(KPa)Unknow ', '14 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '15 . Upper limit of explosion(%,V/V)Unknow ', '16 . Lower limit of explosion(%,V/V)Unknow ', '17 . Solubility Insoluble in Water ,可Soluble in Ethanol Ethyl ether and 醋酸。']
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