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MF:
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C7H6O2
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Water_Solubility:
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13 g/L (30 ºC)
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Bolling_Point:
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246.6±13.0 °C at 760 mmHg
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Exact_Mass:
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122.036781
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More_Info:
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['1 . Appearance Colourless 结晶性粉末，有微弱的令人愉快的芳香气味。 ', '2 . Melting point（ºC）117~119 ', '3 相对. Density（g/mL,130/4ºC）1129 ', '4 . Solubility 易Soluble in Ethanol Ethyl ether 丙酮乙酸乙酯，稍Soluble in Water （在305℃Water 中溶解度为138g/100ml），Soluble in 苯（在65℃苯中溶解度为368g/ml） ', '5 相对. Density（20℃，4℃）1143117 ', '6 相对. Density（25℃，4℃）1136 ', '7 . Refractive index (n130D) 15705']
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Melting_Point:
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112-116 °C(lit.)
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PSA:
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37.30000
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Flash_Point:
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101.3±12.4 °C
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Refractive_Index:
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1.618
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Density:
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1.2±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 3488 ', '2 . Molar volume 995 ', '3 . Parachor （902K）3673 ', '4 . Surface tension 520 ', '5 . Polarizability 1383']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :931 ', '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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FW:
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122.121
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LogP:
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1.39
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Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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