Base information
| Cat. No. | |
| CAS No. | 771579-27-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.194 |
| Exact Mass | 152.095 |
| XLogP3 | 1.1507 |
| Mr | 44.6681 |
| PSA | 58.88 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C)[nH]c(=O)c1CN |
