Base information
| Cat. No. | |
| CAS No. | 100841-04-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.203 |
| Exact Mass | 196.085 |
| XLogP3 | 2.5459 |
| Mr | 54.0774 |
| PSA | 81.07 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | NCCCOc1ccc(cc1)[N+](=O)[O-] |
