Base information
| Cat. No. | |
| CAS No. | 172611-72-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.296 |
| Exact Mass | 224.141 |
| XLogP3 | 2.8028 |
| Mr | 63.7288 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 36 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(CC(=C1C(=O)CC(CC1=O)(C)C)O)C |
