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Computational_Chemistry:
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['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :2 ', '6. TPSA 931 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :404 ', '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 Unknow ', '2 . Density（g/mL,25℃）105 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,32mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexn20/D 1535 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）[α]22/D +88°, c =1 in methanol ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,78ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 (g/l,at 20 ºCUnknow']
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