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Flash_Point:
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187.5ºC
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LogP:
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1.67360
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Bolling_Point:
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383.3ºC at 760mmHg
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FW:
|
223.18200
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PSA:
|
84.65000
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 846 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :279 ', '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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60-62ºC(lit.)
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MF:
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C10H9NO5
|
|
Exact_Mass:
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223.04800
|
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Molecular_Structure:
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['1. Molar refractive index 5341 ', '2. Molar volume 1594 ', '3. Parachor （902K）4447 ', '4. Surface tension 604 ', '5. Dielectric constant N/A ', '6. Polarizability 2117 ', '7. Single isotope mass 223048072 Da ', '8. Nominal mass 223 Da ', '9. Average mass 2231822 Da']
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Density:
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1.399g/cm3
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More_Info:
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['1 . Appearance 晶体 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）60-62 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，19mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）60 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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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