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Refractive_Index:
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n20/D 1.584(lit.)
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Flash_Point:
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225 °F
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LogP:
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2.76100
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Bolling_Point:
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81-83°C 1mm
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PSA:
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45.82000
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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 4372 ', '2 . Molar volume （m3/mol）1272 ', '3 . Parachor （902K）3277 ', '4 . Surface tension 440 ', '5 . Polarizability 1733']
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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 :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :162 ', '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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−5 °C(lit.)
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MF:
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C8H7NO2
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Exact_Mass:
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149.04800
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FW:
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149.14700
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Density:
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1.07 g/mL at 25 °C(lit.)
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More_Info:
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['一物性数据 ', '1 . Appearance Yellow to 浅棕色Liquid ', '2 . Density（g/mL ,25/4℃）107 ', '3 . Refractive index（nD20） 1582-1584 ', '4 . Flash point（℃）107 ', '5 . Melting point（℃）-5 ', '6 . Boiling point（ºC,mmHg） 81-83']
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