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MF:
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C12H8N2O4
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Density:
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1.5±0.1 g/cm3
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Computational_Chemistry:
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['1 . XlogP -09 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 123 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 314 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 6 ', '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 Solid ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）262-266 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
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Exact_Mass:
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244.048401
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Vapor_Pressure:
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0.0±1.2 mmHg at 25°C
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Flash_Point:
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228.5±27.3 °C
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PSA:
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100.38000
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Molecular_Structure:
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['1. Molar refractive index 6088 ', '2. Molar volume 1662 ', '3. Parachor （902K）4931 ', '4. Surface tension 774 ', '5. Dielectric constant N/A ', '6. Polarizability 2413 ', '7. Single isotope mass 244048407Da ', '8. Nominal mass 244Da ', '9. Average mass 2442029Da']
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LogP:
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-1.18
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Bolling_Point:
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454.1±40.0 °C at 760 mmHg
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FW:
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244.203
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Refractive_Index:
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1.654
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