Base information
| Cat. No. | |
| CAS No. | 621-03-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.173 |
| Exact Mass | 160.064 |
| XLogP3 | 1.61178 |
| Mr | 45.3107 |
| PSA | 52.89 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)Nc1ccccc1 |
