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Molecular_Structure:
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['1 . Molar refractive index 2087 ', '2 . Molar volume （m3/mol）677 ', '3 . Parachor （902K）1812 ', '4 . Surface tension 512 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）827']
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Flash_Point:
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95.7±19.8 °C
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Refractive_Index:
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1.529
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FW:
|
84.077
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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234.7±13.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 52 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :481 ', '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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LogP:
|
-1.20
|
|
PSA:
|
52.05000
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|
MF:
|
C3H4N2O
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）1138 ', '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,760mmHg）226-228 ', '7 . Refractive index（n20/D）1511 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,377ºC）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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|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
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|
Exact_Mass:
|
84.032364
|
