Base information
| Cat. No. | |
| CAS No. | 27451-36-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| Exact Mass | 97.0528 |
| XLogP3 | 0.44698 |
| Mr | 26.5858 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(C=C)CC#N |
