Base information
| Cat. No. | |
| CAS No. | 14389-98-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.189 |
| Exact Mass | 181.074 |
| XLogP3 | 0.78998 |
| Mr | 44.908 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C(=C1CCOCC1)C#N |
