Structure
|
|
|
| InChI Key |
WUCYBAXJJOWQFF-UHFFFAOYSA-N |
| Smiles |
Oc1c(c(O)c(c(O)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
|
| InChI |
InChI=1S/C6H3N3O9/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16/h10-12H
|
Physicochemical Descriptors
| Property Name |
Value |
|
| Molecular Formula |
C6H3N3O9 |
| Molecular Weight |
260.99 |
| AlogP |
0.53 |
| Hydrogen Bond Acceptor |
9.0 |
| Hydrogen Bond Donor |
3.0 |
| Number of Rotational Bond |
3.0 |
| Polar Surface Area |
190.11 |
| Heavy Atoms |
18.0 |
Cross References
| Resources |
Reference |
|
|
CAS NUMBER
|
4328-17-0
|
| NORMAN SUSDAT |
|