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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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