Base information
| Cat. No. | |
| CAS No. | 50494-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.142 |
| Exact Mass | 111.068 |
| XLogP3 | 1.1382 |
| Mr | 31.2754 |
| PSA | 43.09 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)C1CC=CC1 |
