Base information
| Cat. No. | |
| CAS No. | 208190-04-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9NO |
| Molecular Weight | 183.206 |
| Exact Mass | 183.068 |
| XLogP3 | 2.5611 |
| Mr | 55.0605 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cccc(c1)c1ccncc1 |
