Base information
| Cat. No. | |
| CAS No. | 856945-68-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.099 |
| Exact Mass | 111.032 |
| XLogP3 | -0.27452 |
| Mr | 25.069 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1OCC(=O)C1C#N |
