Base information
| Cat. No. | |
| CAS No. | 72752-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.156 |
| Exact Mass | 193.038 |
| XLogP3 | 0.9077 |
| Mr | 48.1142 |
| PSA | 72.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc2c(c1)oc(=O)[nH]2 |
