Base information
| Cat. No. | |
| CAS No. | 71133-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.177 |
| Exact Mass | 182.069 |
| XLogP3 | 0.6619 |
| Mr | 44.6105 |
| PSA | 61.31 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cncnc1OC |
