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Density:
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1.9±0.1 g/cm3
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Computational_Chemistry:
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['1 . XlogP 33 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 65 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 450 ', '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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Molecular_Structure:
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['1. Molar refractive index 16757 ', '2. Molar volume 4253 ', '3. Parachor （902K）13406 ', '4. Surface tension 986 ', '5. Dielectric constant N/A ', '6. Polarizability 6643 ', '7. Single isotope mass 809125771 Da ', '8. Nominal mass 809 Da ', '9. Average mass 8095708 Da']
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LogP:
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-3.89
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Refractive_Index:
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1.718
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FW:
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809.571
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PSA:
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418.36000
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MF:
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C23H38N7O17P3S
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More_Info:
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['1 . Appearance White 粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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 Soluble in Water 。']
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Exact_Mass:
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809.125793
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