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Computational_Chemistry:
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['1. XlogP :69 ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :996 ', '6. TPSA 156 ', '7. Heavy Atom Count :38 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :780 ', '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 棉酚为淡黄to Yellow 板状or 针状结晶，无臭，无味。 ', '2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）棉酚的羟醛式(石油醚中结晶). Melting point为214℃；内醚式(氯仿中结晶). Melting point为199℃；羰式( Ethyl ether 中结晶). Melting point为184℃。 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）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 Insoluble in Water ，微Soluble in Ethanol ，可Soluble in 氯仿 Ethyl ether 丙酮乙酸乙酯二氯乙烷四氯化碳and 吡啶等有机溶剂。较难Soluble in 环己烷苯and 石油醚']
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