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Flash_Point:
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30 °C
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LogP:
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7.94080
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Water_Solubility:
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10 G/L (25 ºC)
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FW:
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616.491
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PSA:
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272.67000
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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 2 ', '2 . Hydrogen Bond Acceptor Count 14 ', '3 . Rotatable Bond Count 4 ', '4 . Isotope Atom Count 26 ', '5 . TPSA 250 ', '6 . Heavy Atom Count 41 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1230 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 3']
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MF:
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C22H14N6Na2O9S2
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Exact_Mass:
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616.005920
|
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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 616005906 Da ', '8. Nominal mass 616 Da ', '9. Average mass 6164909 Da']
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Density:
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1.05 g/mL at 20 °C
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More_Info:
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['1 . Appearance 黑褐色粉末。 2 . Density（g/mL,20℃） 105 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） 30 ', '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 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 可Soluble in Water ，Water 溶液呈蓝黑色，加入浓盐酸产生绿光蓝色沉淀；加入氢氧化钠溶液产生蓝色沉淀。Soluble in Ethanol ，呈蓝色，微Soluble in 丙酮，Insoluble in 其他有机溶剂。于浓硫酸中呈蓝光绿色，稀释后产生暗绿光蓝色沉淀；于浓硝酸中呈暗绿色溶液后转变为酱红色；于 10%氢氧化钠溶液中产生蓝色沉淀。染色时，遇铜离子色泽略有变化；遇铁离子色泽略带浅绿。']
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