pteroic acid
structural formula
| business number | 03ak |
|---|---|
| molecular formula | c14h12n6o3 |
| molecular weight | 312.28 |
| label |
heterocyclic compounds |
numbering system
cas number:119-24-4
mdl number:mfcd00075823
einecs number:none
rtecs number:none
brn number:none
pubchem number:24898244
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1, moore refractive index: 83.60
2, molar volume (m3/mol):189.8
3、 isotonic specific volume (90.2k) ：621.7
4, surface tension (dyne/cm):115.0
5、 polarizability (10-24cm3):233.14
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.3
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 36
6. topological molecular polar surface area 143
7. number of heavy atoms: 23
8. surface charge: 0
9. complexity: 503
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
ily: arial; mso-font-kerning: 0pt”>233.14
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.3
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 36
6. topological molecular polar surface area 143
7. number of heavy atoms: 23
8. surface charge: 0
9. complexity: 503
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet