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More_Info:
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['1 . Appearance Liquid 。 ', '2 . Density(g/mL,25/4℃)0834 ', '3 相对. Density(20℃,4℃)0838 ', '4 常温. Refractive index(n20)1431 ', '5 . Boiling point(ºC,Atmospheric pressure)164 ', '6 常温. Refractive index(n25)1429 ', '7 . Refractive index 无可用 ', '8 . Flash point(ºC) 无可用 ', '9 . Specific rotation(º) 无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC) 无可用 ', '11 . Vapor pressure(kPa,25ºC) 无可用 ', '12 . Saturated vapor pressure(kPa,60ºC) 无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC) 无可用 ', '15 . Critical pressure(KPa) 无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V) 无可用 ', '19 . Solubility 无可用。']
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Computational_Chemistry:
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['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :523 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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