Base information
| Cat. No. | |
| CAS No. | 16880-11-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO4 |
| Molecular Weight | 157.124 |
| Exact Mass | 157.038 |
| XLogP3 | 0.4698 |
| Mr | 34.2745 |
| PSA | 61.56 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1noc(c1)C(=O)OC |
