Computational_Chemistry:
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['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :458 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '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,15℃)0981 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)89-91 ', '6 . Refractive index1 451 ', '7 . Flash point(ºC)113 ', '8 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '9 . Specific rotation(º) Unknow ', '10 . Vapor pressure(kPa,25ºC)Unknow ', '11 . Saturated vapor pressure(kPa,60ºC)Unknow ', '12 . Combustion heat(KJ/mol) Unknow ', '13 . Critical temperature(ºC)Unknow ', '14 . Critical pressure(KPa)Unknow ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion(%,V/V)Unknow ', '17 . Lower limit of explosion(%,V/V)Unknow ', '18 . Solubility Unknow']
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