2-iodohippuric acid
Structural formula
| Business number | 03X5 |
|---|---|
| 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