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
