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Refractive_Index:
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1.537
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Flash_Point:
|
100 °C
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LogP:
|
0.67
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PSA:
|
103.58000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4860 ', '2 . Molar volume 1555 ', '3 . Parachor （902K）4065 ', '4 . Surface tension 466 ', '5 . Polarizability 1926 ', '6 性状: 无色针状结晶固体（从无水乙醇中） ', '7 熔点160-161℃ ', '8 蒸气压为08×10-4Pa（25℃） ', '9 溶解度（每1000g）水10g；丙酮105g；氯仿103g；二甲基甲酰胺185g']
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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 :5 ', '6. TPSA 104 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :301 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Melting_Point:
|
160-161ºC
|
|
MF:
|
C7H10N4O3
|
|
Exact_Mass:
|
198.075287
|
|
FW:
|
198.179
|
|
Density:
|
1.3±0.1 g/cm3
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|
More_Info:
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['1 . Appearance White 结晶体。 ', '2 . Density（g/cm3,20℃）131 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）160～161 ', '5 . Boiling point（ºC10mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）100 ', '9 Unknow. Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）8×10-5 ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Water Unknow']
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