Molecular_Structure:
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['1. Molar refractive index 5125 ', '2. Molar volume 1448 ', '3. Parachor (902K)4094 ', '4. Surface tension 638 ', '5. Dielectric constant N/A ', '6. Polarizability 2032 ', '7. Single isotope mass 197080041 Da ', '8. Nominal mass 197 Da ', '9. Average mass 1971912 Da']
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LogP:
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1.20
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Flash_Point:
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193.6±25.1 °C
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Refractive_Index:
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1.626
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FW:
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197.191
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Density:
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1.4±0.1 g/cm3
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Bolling_Point:
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396.4±32.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 91 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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Melting_Point:
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100ºC
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PSA:
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90.97000
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MF:
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C8H11N3O3
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More_Info:
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['1 . Appearance Unknow ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)100 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)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(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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 Unknow']
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Vapor_Pressure:
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0.0±1.0 mmHg at 25°C
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Exact_Mass:
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197.080048
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