Base information
| Cat. No. | |
| CAS No. | 29004-73-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.13 |
| Exact Mass | 112.064 |
| XLogP3 | 0.2104 |
| Mr | 29.6815 |
| PSA | 48.91 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(n[nH]1)CO |
