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Molecular_Structure:
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['1. Molar refractive index 7706 ', '2. Molar volume 2187 ', '3. Parachor （902K）7445 ', '4. Surface tension 1342 ', '5. Dielectric constant N/A ', '6. Polarizability 3055 ', '7. Single isotope mass 435996668 Da ', '8. Nominal mass 436 Da ', '9. Average mass 4361242 Da']
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LogP:
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-5.81
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Flash_Point:
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485.2±37.1 °C
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Refractive_Index:
|
1.622
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FW:
|
436.124
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Density:
|
2.0±0.1 g/cm3
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Bolling_Point:
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878.7±75.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :-112 ', '2. Hydrogen Bond Donor Count :8 ', '3. Hydrogen Bond Acceptor Count :14 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :N/A ', '6. TPSA 237 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :486 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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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PSA:
|
275.84000
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|
MF:
|
C6H20N2O12P4
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|
More_Info:
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['1 . Appearance 常温下为White 结晶性粉末。 ', '2 . Density（g/mL,25/4℃） 13-14 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）215-217 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility 微Soluble in Water ，易Soluble in 氨Water 。']
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Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
435.996674
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