Base information
| Cat. No. | |
| CAS No. | 111448-80-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.238 |
| Exact Mass | 187.1 |
| XLogP3 | 2.3354 |
| Mr | 58.3037 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(C(=O)Nc1ccc(cc1)C#C)C |
