Base information
| Cat. No. | |
| CAS No. | 111-36-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| Exact Mass | 99.0684 |
| XLogP3 | 1.1223 |
| Mr | 28.4065 |
| PSA | 29.43 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCCN=C=O |
