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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :7 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :168 ', '6. TPSA 202 ', '7. Heavy Atom Count :33 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1000 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :6 ', '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 Liquid ', '2 . Density（g/mL,25℃）0992 ', '3 . Relative vapor density（g/mL,Atmosphere =1）306 ', '4 . Melting point（ºC）-93 ', '5 . Boiling point（ºC,Atmospheric pressure）120 ', '6 . Boiling point（ºC,03mmHg）Unknow ', '7 . Refractive index(n20/D)1394（lit） ', '8 . Flash point（ºC）24 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）425 ', '11 . Vapor pressure（mmHg,40ºC）Unknow ', '12 . Saturated vapor pressure（kPa,158ºC）133 ', '13 . Combustion heat（KJ/mol）17886 ', '14 . Critical temperature（ºC）3447 ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）110 ', '18 . Lower limit of explosion（%,V/V）22 ', '19 . Solubility 微Soluble in Water ，，Soluble in 醇醚']
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