4-Hydroxypyridine-2,6-dicarboxylic acid
Structural formula
| Business number | 03S2 |
|---|---|
| Molecular formula | C7H5NO5 |
| Molecular weight | 183.12 |
| label |
1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate, 4-Hydroxypyridine-2,6-dicarboxylic acid, aromatic compounds |
Numbering system
CAS number:138-60-3
MDL number:MFCD00066478
EINECS number:205-335-8
RTECS number:None
BRN number:476229
PubChem number:24278338
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data: 1、 Molar refractive index：37.95 2、 Molar volume（m3/mol ): 106.0 3、 Isotonic specific volume（90.2K）：326.3 4、 Surface tension（3.0 dyne/cm SPAN>):89.6 5、 Polarizability（ 0.5 10-24cm3): 15.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.4
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 104
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 320
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
Storage method
None
Synthesis method
None
Purpose
Nutritional additives, chemical reagents
LY: Arial; mso-fareast-font-family: Arial; mso-font-kerning: 0pt”>):15.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.4
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 104
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 320
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
Storage method
None
Synthesis method
None
Purpose
Nutritional additives, chemical reagents
