Base information
| Cat. No. | |
| CAS No. | 761440-64-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.251 |
| Exact Mass | 250.095 |
| XLogP3 | 2.3609 |
| Mr | 71.405 |
| PSA | 75.36 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1[N+](=O)[O-])N1CCC(=O)CC1 |
