Base information
| Cat. No. | |
| CAS No. | 5725-89-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.215 |
| Exact Mass | 227.058 |
| XLogP3 | 2.3014 |
| Mr | 63.393 |
| PSA | 52.33 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)oc1-c(n2)ccc(=O)c1 |
