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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 :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :907 ', '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 Liquid ，有温柔的花香and 杏仁香气。 ', '2 . Density（g/mL,25℃）10194 ', '3相对. Density（20℃，4℃）10190 ', '4 . Melting point（ºC）-6 ', '5 . Boiling point（ºC,Atmospheric pressure）106(1333pa) ', '6 . Boiling point（ºC, 8mmHg）204-205 ', '7 . Refractive index(n20D)15454 ', '8 . Flash point（ºC）85 ', '9常温. Refractive index（n20）15454 ', '10 . Spontaneous ignition point or ignition temperature（ºC）: 395 ', '11 液相标准热熔(J·mol-1·K-1)2152 ', '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）56 ', '18 . Lower limit of explosion（%,V/V）09 ', '19 . Solubility 能与 Ethanol Ethyl ether and 丙酮混溶，微Soluble in Water 。']
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