Base information
| Cat. No. | |
| CAS No. | 5466-40-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.244 |
| Exact Mass | 180.115 |
| XLogP3 | 3.4327 |
| Mr | 52.9375 |
| PSA | 30.21 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCCCCC(=O)c1ccco1 |
