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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 :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 373 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :131 ', '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 Colourless 透明Liquid 。 ', '2 . Density（g/mL,25℃）1131 ', '3 . Relative vapor density（g/mL,Atmosphere =1）47 ', '4 . Melting point（ºC）25 ', '5 . Boiling point（ºC,Atmospheric pressure）218；90~95(16kpa) ', '6 . Boiling point（ºC, 23kPa）106 ', '7 . Refractive index(n20D) 1558 ', '8 . Flash point（ºC）106 ', '9 相对. Density（20℃，4℃）11307 ', '10 相对. Density（25℃，4℃）11275 ', '11 . Vapor pressure（mmHg,20ºC）~02 ', '12 常温. Refractive index（n20）15584 ', '13常温. Refractive index（n25）15564 ', '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 Unknow']
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