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More_Info:
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['1 . Appearance 为Colourless 油状Liquid ，有近似玫瑰香气，微带柠檬香。 ', '2 . Density（g/mL,25℃）08812 ', '3 相对. Density（20℃，4℃）08756 ', '4 . Melting point（ºC）-15 ', '5 . Boiling point（ºC,Atmospheric pressure）225， 125(3333pa) ', '6 . Boiling point（ºC, 9mmHg）227 ', '7 . Refractive index(n20D) 14746 ', '8 . Flash point（ºC）77 ', '9 相对. Density（25℃，4℃）08734 ', '10 常温. Refractive index（n20）1479511 ', '11 常温. Refractive index（n25）1474620 ', '12 . Saturated vapor pressure（kPa, 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 Soluble in Ethanol 氯仿 Ethyl ether 等有机溶剂，Insoluble in Water 。']
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Computational_Chemistry:
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['1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 150 ', '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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