Base information
| Cat. No. | |
| CAS No. | 100418-33-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.203 |
| Exact Mass | 196.085 |
| XLogP3 | 1.9036 |
| Mr | 55.5045 |
| PSA | 78.08 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCCNc1ccc(cc1[N+](=O)[O-])C |
