Base information
| Cat. No. | |
| CAS No. | 1611-02-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.221 |
| Exact Mass | 217.074 |
| XLogP3 | 1.57218 |
| Mr | 56.8985 |
| PSA | 67.16 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(C(=O)c1ccccc1)C#N |
