Base information
| Cat. No. | |
| CAS No. | 21598-06-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.157 |
| Exact Mass | 177.043 |
| XLogP3 | 1.5717 |
| Mr | 47.281 |
| PSA | 73.32 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc2c(c1)cc([nH]2)C(=O)O |
