Base information
| Cat. No. | |
| CAS No. | 532-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.146 |
| Exact Mass | 165.043 |
| XLogP3 | 1.1297 |
| Mr | 43.3267 |
| PSA | 55.23 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)oc(=O)[nH]2 |
