Base information
| Cat. No. | |
| CAS No. | 117620-77-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.205 |
| Exact Mass | 215.058 |
| XLogP3 | 2.06338 |
| Mr | 58.498 |
| PSA | 63.23 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCOc1ccc2c(c1)oc(=O)c(c2)C#N |
