Base information
| Cat. No. | |
| CAS No. | 176894-58-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.225 |
| Exact Mass | 204.09 |
| XLogP3 | 2.21578 |
| Mr | 54.8607 |
| PSA | 62.12 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C[C@@H](NC(=O)OCc1ccccc1)C#N |
