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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 :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 392 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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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Water_Solubility:
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miscible
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Flash_Point:
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93.3±0.0 °C
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More_Info:
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['1 . Density（g/mL ,25/4℃）1107 ', '2 . Refractive index（nD20）15019-1504 ', '3 . Flash point（℃）93 ', '4 . Melting point（℃）8-10 ', '5 . Boiling point（ºC） 223-224 ', '6 . Solubility 易Soluble in Water Ethanol Ethyl ether 苯。 ', '7 . Appearance Colourless 透明Liquid 。']
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PSA:
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39.19000
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Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
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Density:
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1.1±0.1 g/cm3
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Refractive_Index:
|
1.506
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FW:
|
151.163
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LogP:
|
1.41
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Bolling_Point:
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224.0±0.0 °C at 760 mmHg
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Exact_Mass:
|
151.063324
|
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MF:
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C8H9NO2
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Melting_Point:
|
8-10 °C(lit.)
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4075 ', '2 . Molar volume 1370 ', '3 . Parachor （902K）3460 ', '4 . Surface tension 406 ', '5 . Polarizability 1615']
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