Base information
| Cat. No. | |
| CAS No. | 161126-53-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.135 |
| Exact Mass | 169.038 |
| XLogP3 | 0.5821 |
| Mr | 38.136 |
| PSA | 69.4 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1onc(c1C=O)C |
