Structural formula
Business number | 03FP |
---|---|
Molecular formula | C8H9NO3 |
Molecular weight | 167.16 |
label |
HOC6H4NHCH2COOH, aromatic compounds |
Numbering system
CAS number:122-87-2
MDL number:MFCD00002689
EINECS number:204-580-8
RTECS number:None
BRN number:None
PubChem number:24895677
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1, Molar refractive index:43.94
2, Molar volume (m3/mol):118.4
3, isotonic ratio (90.2K): 342.7
4, Surface Tension (dyne/cm): 70.1
5、 Polarizability (10-24cm3):17.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 69.6
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 152
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