structural formula
| business number | 03×5 |
|---|---|
| molecular formula | c9h8ino3 |
| molecular weight | 305.07 |
| label |
o-iodohippuric acid, n-(2-iodobenzoyl)glycine, o-iodohippuric acid |
numbering system
cas number:147-58-0
mdl number:mfcd00002694
einecs number:205-693-5
rtecs number:none
brn number:1877943
pubchem number:24846738
physical property data
1. physical property data:
1. characteristics: white or off-white crystalline powder.
2. melting point (℃): 170-172℃.
3. solubility: soluble in methanol.
toxicological data
none
ecological data
3. ecological data:
usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
molecular structure data
5. molecular property data:
1. molar refractive index:58.97
2. molar volume (m3/ mol):162.9
3. isotonic specific volume (90.2k): 457.6
4. surface tension (dyne/cm): 62.1
5. polarizability（10-24cm3):23.38
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 66.4
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 232
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
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
none
purpose
none
id=”js”>calculate chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 66.4
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 232
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
stable under normal temperature and pressure.
storage method
seal and store in a dry and cool place.
synthesis method
none
purpose
none
微信扫一扫打赏
