Base information
| Cat. No. | |
| CAS No. | 51227-29-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.19 |
| Exact Mass | 149.084 |
| XLogP3 | 1.9203 |
| Mr | 44.0455 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(C(=O)c1cccnc1)C |
