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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 352071862 Da ', '8. Nominal mass 352 Da ', '9. Average mass 3522617 Da']
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LogP:
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1.66350
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FW:
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352.262
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Bolling_Point:
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187.6ºC at 760 mmHg
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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 6 ', '3 . Rotatable Bond Count 6 ', '4 . Isotope Atom Count 35 ', '5 . TPSA 102 ', '6 . Heavy Atom Count 22 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 823 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 4']
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Melting_Point:
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159-161ºC
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PSA:
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102.42000
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MF:
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C15H24MnO6
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More_Info:
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['一物性数据 ', '1 . Appearance 有光泽的黑色or 墨绿色单斜系晶体。 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,067kpaor 5 mmHg）不确定 ', '6 . Refractive index不确定 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）不确定 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 难Soluble in Water 。']
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Exact_Mass:
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352.071869
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