Base information
| Cat. No. | |
| CAS No. | 7775-00-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.255 |
| Exact Mass | 176.12 |
| XLogP3 | 2.9415 |
| Mr | 55.802 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=CCCc1ccc(cc1)C(C)C |
