3,5-Diiodo-4-pyridone-1-acetic acid 3,5-Diiodo-4-pyridone-1-acetic acid
Structural formula
| Business number | 02KE |
|---|---|
| Molecular formula | C7H5I2NO3 |
| Molecular weight | 404.93 |
| label |
1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridineacetic acid |
Numbering system
CAS number:101-29-1
MDL number:MFCD00006185
EINECS number:202-932-5
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 30℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 244
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC) ,0.266KPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 25ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 63.28
2. Molar volume (cm3/mol): 150.8
3. Isotonic specific volume (90.2K ): 453.6
4. Surface tension (dyne/cm): 81.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 25.08
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 57.6
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 300
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Save��method
None yet
Synthesis method
None yet
Purpose
None yet
