Base information
| Cat. No. | |
| CAS No. | 25816-61-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7NO2 |
| Molecular Weight | 185.179 |
| Exact Mass | 185.048 |
| XLogP3 | 1.97308 |
| Mr | 52.165 |
| PSA | 54 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc2cc(C#N)c(=O)oc2cc1 |
