|
Refractive_Index:
|
1.544
|
|
Flash_Point:
|
172-174°C/18mm
|
|
LogP:
|
2.29470
|
|
Bolling_Point:
|
172-174°C 18mm
|
|
PSA:
|
72.12000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4920 ', '2 . Molar volume （m3/mol）1556 ', '3 . Parachor （902K）4073 ', '4 . Surface tension 469 ', '5 . Polarizability （10 -24cm 3）1950']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 721 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :223 ', '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']
|
|
Melting_Point:
|
26-30°C
|
|
MF:
|
C9H9NO4
|
|
Exact_Mass:
|
195.05300
|
|
FW:
|
195.17200
|
|
More_Info:
|
['物性数据 1 . Density（ g/mL ,25/4 ℃） 1253 ', '2 . Refractive index（nD20）1544 ', '3 . Flash point（℃）1261 ', '4 . Melting point（℃）26-30 ', '5 . Boiling point（ºC,18mmHg）172-174 ', '6 . Boiling point（ºC,760mmHg）275']
|
