
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

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