Base information
| Cat. No. | |
| CAS No. | 106047-17-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.232 |
| Exact Mass | 213.079 |
| XLogP3 | 2.5352 |
| Mr | 60.9525 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1)c1ccncc1 |
