Base information
| Cat. No. | |
| CAS No. | 6606-65-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.178 |
| Exact Mass | 153.079 |
| XLogP3 | 1.40948 |
| Mr | 41.13 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCOC(=O)C(=C)C#N |
