Base information
| Cat. No. | |
| CAS No. | 100189-17-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.179 |
| Exact Mass | 137.084 |
| XLogP3 | 0.9248 |
| Mr | 40.1378 |
| PSA | 33.12 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCc1ccc(nc1)C |
