Base information
| Cat. No. | |
| CAS No. | 28657-75-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.173 |
| Exact Mass | 179.058 |
| XLogP3 | 1.7813 |
| Mr | 47.1039 |
| PSA | 61.55 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cc2OCOc2cc1N |
