Base information
| Cat. No. | |
| CAS No. | 31980-12-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.188 |
| Exact Mass | 178.074 |
| XLogP3 | -0.3863 |
| Mr | 56.599 |
| PSA | 57.5 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1(C)[N+](=c2c(=[N+]1[O-])cccc2)[O-] |
