Computational_Chemistry:
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['1 . XlogP 74 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 678 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 6 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 3 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance White 针状结晶or 结晶性粉末,无臭,无味。遇氧or 光照活性降低 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)115-118 (分解) ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 52 kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)82 º (c=3, in acetone 25 ºC) ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25 ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60 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)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 易Soluble in Ethanol (12) Ethyl ether (12)丙酮(110)and 氯仿(107),Insoluble in Water (H2O: 200mg/mL, clear to hazy);极易溶解于氯仿。易Soluble in Ethanol 丙酮or Ethyl ether ,略Soluble in 植物油。']
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