Base information
| Cat. No. | |
| CAS No. | 147779-25-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.215 |
| Exact Mass | 227.058 |
| XLogP3 | 2.0108 |
| Mr | 61.0708 |
| PSA | 67.26 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cccnc1C(=O)c1ccccc1 |
