Base information
| Cat. No. | |
| CAS No. | 35981-67-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.222 |
| Exact Mass | 185.084 |
| XLogP3 | 2.34538 |
| Mr | 53.6585 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc(cc1)C(=O)C1CC1 |
