Base information
| Cat. No. | |
| CAS No. | 101001-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.163 |
| Exact Mass | 135.068 |
| XLogP3 | 1.4866 |
| Mr | 40.2215 |
| PSA | 22 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CCn1cccc1C=O |
