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LogP:
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2.43340
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）62-64 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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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Vapor_Pressure:
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0.000629mmHg at 25°C
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Computational_Chemistry:
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['1 . XlogP 2 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 694 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 215 ', '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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Melting_Point:
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62-64 ℃
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Exact_Mass:
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195.05300
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MF:
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C9H9NO4
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FW:
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195.17200
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PSA:
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72.12000
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Molecular_Structure:
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['1. Molar refractive index 4877 ', '2. Molar volume 1554 ', '3. Parachor （902K）404 ', '4. Surface tension 456 ', '5. Dielectric constant N/A ', '6. Polarizability 1933 ', '7. Single isotope mass 195053158Da ', '8. Nominal mass 195Da ', '9. Average mass 1951721Da']
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