Base information
| Cat. No. | |
| CAS No. | 16727-43-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.161 |
| Exact Mass | 183.053 |
| XLogP3 | 0.797 |
| Mr | 44.1803 |
| PSA | 68.65 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1nc(OC)ccc1C(=O)O |
