Base information
| Cat. No. | |
| CAS No. | 157365-45-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.188 |
| Exact Mass | 178.074 |
| XLogP3 | 0.54318 |
| Mr | 49.749 |
| PSA | 61.17 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCN1C(=O)CC(=C(C1=O)C#N)C |
