Base information
| Cat. No. | |
| CAS No. | 631-57-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C3H3NO |
| Molecular Weight | 69.062 |
| Exact Mass | 69.0215 |
| XLogP3 | 0.09898 |
| Mr | 16.484 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 8 |
| Bond number | 7 |
| Ring number | 0 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC(=O)C#N |
