Base information
| Cat. No. | |
| CAS No. | 380605-29-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.187 |
| Exact Mass | 175.075 |
| XLogP3 | 1.0595 |
| Mr | 49.1157 |
| PSA | 50.68 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 24 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c2c(n1C1CC1)ccnc2 |
