Structural formula
Business number | 03S4 |
---|---|
Molecular formula | C7H6KNO2 |
Molecular weight | 175.23 |
label |
PABA, aromatic compounds |
Numbering system
CAS number:138-84-1
MDL number:MFCD00064911
EINECS number:205-338-4
RTECS number:None
BRN number:None
PubChem number:24890412
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 66.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 132
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: 2
Properties and stability
None
Storage method
None
Synthesis method
Using p-nitrotoluene as raw material,oxidized, Reduction, salt formation, crystallization and other reactions,Synthetic para-aminobenzene Potassium formate
Purpose
Used for organic synthesis Intermediates