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MF:
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C10H8O4
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Bolling_Point:
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306.8ºC at 760 mmHg
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Exact_Mass:
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192.04200
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More_Info:
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['1. Appearance 亮粽色针状结晶2. Density(g/mL,25/4℃)3. Relative vapor density(g/mL,Atmosphere =1)4. Melting point(ºC)138-139 ºC5. Boiling point(ºC,Atmospheric pressure)6. Boiling point(ºC,52kPa) 7. Refractive index8. Flash point(ºC)9. Specific rotation(º)10. Spontaneous ignition point or ignition temperature(ºC) 11. Vapor pressure(kPa,25ºC) 12. Saturated vapor pressure(kPa,60ºC) 13. Combustion heat(KJ/mol)14. Critical temperature(ºC) 15. Critical pressure(KPa) 16. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 17. Upper limit of explosion(%,V/V)18. Lower limit of explosion(%,V/V) 19. Solubility ']
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Melting_Point:
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134-137 °C(lit.)
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PSA:
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63.58000
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Flash_Point:
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139.4ºC
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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 :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 636 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :216 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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Density:
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1.32 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 4690 ', '2 . Molar volume (m3/mol)1455 ', '3 . Parachor (902K)3879 ', '4 . Surface tension 505 ', '5 . Polarizability 1859']
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FW:
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192.16800
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LogP:
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1.78890
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Refractive_Index:
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1.557
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