Base information
| Cat. No. | |
| CAS No. | 100-27-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.162 |
| Exact Mass | 167.058 |
| XLogP3 | 1.6528 |
| Mr | 46.1988 |
| PSA | 66.05 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCCc1ccc(cc1)[N+](=O)[O-] |
