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FW:
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468.369
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MF:
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C16H10N2Na2O8S2
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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 4 ', '2 . Hydrogen Bond Acceptor Count 10 ', '3 . Rotatable Bond Count 4 ', '4 . Isotope Atom Count 24 ', '5 . TPSA 170 ', '6 . Heavy Atom Count 29 ', '7 . Topological Polar Surface Area 1 ', '8 . Complexity 892 ', '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 1 ', '14 . Covalently-Bonded Unit Count 2']
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LogP:
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4.63620
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More_Info:
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['1 . Appearance 棕红色粉末 ', '2 . Density)不确定 ', '3 . Relative vapor density（,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC, 40mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility Soluble in Water ，呈洋红色。Soluble in Ethanol and 丙酮，Insoluble in 其他有机溶剂']
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PSA:
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196.34000
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Exact_Mass:
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467.967407
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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 467967395Da ', '8. Nominal mass 468Da ', '9. Average mass 4683687Da']
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