Base information
| Cat. No. | |
| CAS No. | 52606-02-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.15 |
| Exact Mass | 168.053 |
| XLogP3 | 0.3063 |
| Mr | 40.4035 |
| PSA | 61.31 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1nc(OC)ncc1C=O |
