Base information
| Cat. No. | |
| CAS No. | 118503-13-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N4O |
| Molecular Weight | 164.165 |
| Exact Mass | 164.07 |
| XLogP3 | -0.1814 |
| Mr | 42.5538 |
| PSA | 63.83 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCn1ncc2c1nccn2 |
