Base information
| Cat. No. | |
| CAS No. | 100643-25-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.102 |
| Exact Mass | 111.043 |
| XLogP3 | 0.3456 |
| Mr | 28.4594 |
| PSA | 72.03 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1ccnc(n1)N |
