Base information
| Cat. No. | |
| CAS No. | 153690-05-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N3O2 |
| Molecular Weight | 165.149 |
| Exact Mass | 165.054 |
| XLogP3 | 0.5611 |
| Mr | 41.4092 |
| PSA | 89.1 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C(=C/c1ccncn1)/N |
