|
MF:
|
C8H7NO3
|
|
Bolling_Point:
|
237.3±13.0 °C at 760 mmHg
|
|
Exact_Mass:
|
165.042587
|
|
More_Info:
|
['1 . Appearance Yellow 针状结晶。 ', '2 . Melting point（℃）81℃ ', '3 . Boiling point（ºC,20kpa）202℃，167℃（239kPa）。 ', '4 . Solubility 易Soluble in 热Water and Ethyl ether ，微Soluble in Ethanol 。能随Water 蒸气挥发。']
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|
Melting_Point:
|
76-78 °C(lit.)
|
|
PSA:
|
62.89000
|
|
Flash_Point:
|
99.9±12.6 °C
|
|
Refractive_Index:
|
1.558
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4282 ', '2 . Molar volume （m3/mol）1328 ', '3 . Parachor （902K）3479 ', '4 . Surface tension 471 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1697']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 629 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :197 ', '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']
|
|
FW:
|
165.146
|
|
LogP:
|
1.49
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
