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Computational_Chemistry:
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['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 954 ', '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 具有强烈的花香茉莉样的香调，并有果香and 辛香香气，以及欧黑莓样的香气。 ', '2 . Density（g/mL,25℃）10881 ', '3 . Relative vapor density（g/mL,Atmosphere =1）47 ', '4 . Melting point（ºC）36 ', '5 . Boiling point（ºC,Atmospheric pressure）203 ', '6 相对. Density（20℃，4℃）10814 ', '7 . Refractive index（25ºC）15153 ', '8 . Flash point（ºC）83 ', '9 常温. Refractive index（n20）15143 ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 84ºC）133 ', '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 ，可混Soluble in 醇酮芳烃卤代烃。']
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