Base information
| Cat. No. | |
| CAS No. | 1216459-54-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 212.237 |
| Exact Mass | 212.151 |
| XLogP3 | 3.0732 |
| Mr | 62.1808 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(C[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(C(=O)O)C)C |
