Base information
| Cat. No. | |
| CAS No. | 6840-18-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.237 |
| Exact Mass | 203.095 |
| XLogP3 | 2.24698 |
| Mr | 56.477 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(c1ccccc1)CC#N |
