Base information
| Cat. No. | |
| CAS No. | 87626-41-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.205 |
| Exact Mass | 199.063 |
| XLogP3 | 2.6864 |
| Mr | 56.1405 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1)Oc1cccnc1 |
