Base information
| Cat. No. | |
| CAS No. | 25658-36-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.172 |
| Exact Mass | 195.053 |
| XLogP3 | 0.6548 |
| Mr | 46.796 |
| PSA | 65.49 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccnc(c1)C(=O)OC |
