|
MF:
|
C9H11NO3
|
|
Bolling_Point:
|
387.2±32.0 °C at 760 mmHg
|
|
Exact_Mass:
|
181.073898
|
|
More_Info:
|
['一物性数据 ', '1性质Colourless or 淡Yellow 透明Liquid 。 ', '2. Melting point17-18℃， ', '3. Boiling point213-214℃，55℃（0133kPa）， ', '4相对. Density12410（20/4℃）， ', '5折光率15650。 ', '6Soluble in Ethanol Ethyl ether 苯and 丙酮，微Soluble in Water 。']
|
|
Melting_Point:
|
260-270ºC
|
|
PSA:
|
83.55000
|
|
Flash_Point:
|
188.0±25.1 °C
|
|
Refractive_Index:
|
1.614
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4737 ', '2 . Molar volume （m3/mol）1358 ', '3 . Parachor （902K）3868 ', '4 . Surface tension 657 ', '5 . Polarizability （10 -24cm 3）1878']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :9 ', '6. TPSA 836 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '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']
|
|
FW:
|
181.189
|
|
LogP:
|
0.38
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
