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Molecular_Structure:
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['1. Molar refractive index 6672 ', '2. Molar volume 2002 ', '3. Parachor （902K）5163 ', '4. Surface tension 442 ', '5. Dielectric constant N/A ', '6. Polarizability 2645 ', '7. Single isotope mass 225078979 Da ', '8. Nominal mass 225 Da ', '9. Average mass 2252426 Da']
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LogP:
|
2.74780
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Flash_Point:
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184.3ºC
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Refractive_Index:
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1.58
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FW:
|
225.24300
|
|
Density:
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1.12 g/cm3
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|
Bolling_Point:
|
381.1ºC at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 37 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 497 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 287 ', '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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PSA:
|
49.66000
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MF:
|
C14H11NO2
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|
More_Info:
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['1 . Appearance White 叶状结晶。有金属光泽。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）137～138 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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 易Soluble in Ethanol Ethyl ether 氯仿and 乙酸，微Soluble in Water 苯and 石油英。']
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|
Vapor_Pressure:
|
1.73E-06mmHg at 25°C
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|
Exact_Mass:
|
225.07900
|
