Base information
| Cat. No. | |
| CAS No. | 60838-50-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5NO |
| Molecular Weight | 83.0886 |
| Exact Mass | 83.0371 |
| XLogP3 | 0.67008 |
| Mr | 21.702 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 11 |
| Bond number | 10 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COC=CC#N |
