4-hydroxypyridine-2,6-dicarboxylic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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