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
