Base information
| Cat. No. | |
| CAS No. | 69791-38-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H3NO2 |
| Molecular Weight | 97.0721 |
| Exact Mass | 97.0164 |
| XLogP3 | -0.47602 |
| Mr | 21.491 |
| PSA | 57.93 |
| Sequence | - |
| Atom number | 10 |
| Bond number | 9 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=CC(C#N)C=O |
