Base information
| Cat. No. | |
| CAS No. | 111542-07-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.236 |
| Exact Mass | 235.084 |
| XLogP3 | 1.3431 |
| Mr | 61.4275 |
| PSA | 75.63 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1ccccc1CC(=O)NC(=C)C(=O)O |
