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Computational_Chemistry:
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['1 . XlogP -13 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 948 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 129 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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 结晶，具有特殊的Water 果酸味。 ', '2. Density（g/mL,20℃）160 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）101-103 ', '5. Boiling point（ºC,Atmospheric pressure）3064 ', '6. Boiling point（ºC, KPa）140（分解） ', '7. Refractive index-65 ', '8. Flash point（ºC）220 ', '9. Specific rotation（º）-2 ', '10. Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11. Vapor pressure（mmHg,ºC）Unknow ', '12. Saturated vapor pressure（kPa, ºC）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 ，能Soluble in Ethanol 醚甲醇丙酮，Insoluble in 苯。']
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