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Molecular_Structure:
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['1. Molar refractive index 2177 ', '2. Molar volume 818 ', '3. Parachor （902K）2043 ', '4. Surface tension 387 ', '5. Dielectric constant N/A ', '6. Polarizability 863 ', '7. Single isotope mass 102031694 Da ', '8. Nominal mass 102 Da ', '9. Average mass 1020886 Da']
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LogP:
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-0.80
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Flash_Point:
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26.2±15.0 °C
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Refractive_Index:
|
1.445
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FW:
|
102.089
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Density:
|
1.2±0.1 g/cm3
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Bolling_Point:
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97.4±15.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :-02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 388 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :889 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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|
PSA:
|
38.83000
|
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MF:
|
C4H6O3
|
|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1166 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 142 ', '8 . Flash point（ºC）72 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:
|
41.7±0.2 mmHg at 25°C
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|
Exact_Mass:
|
102.031693
|
