Computational_Chemistry:
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['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :12 ', '6. TPSA 171 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :292 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '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 to 淡Yellow Liquid ,稀释时有紫罗兰花香气,木香香韵更为突出。 ', '2. Density(g/mL,25/4℃)0945 ', '3相对. Density(20℃,4℃)09461 ', '4. Melting point(ºC)-35 ', '5. Boiling point(ºC,Atmospheric pressure)126~128(16kpa) ', '6常温. Refractive index(n20)15200 ', '7. Refractive index(n20D)152 ', '8. Flash point(ºC)>110 ', '9. Specific rotation(º)Unknow ', '10. Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11. Vapor pressure(kPa,25ºC)Unknow ', '12. Saturated vapor pressure(kPa,60ºC)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 微Soluble in Water ,Soluble in 油and 醇,以1:3Soluble in 70% Ethanol ']
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