Base information
| Cat. No. | |
| CAS No. | 36568-42-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H18O6 |
| Molecular Weight | 222.236 |
| Exact Mass | 222.11 |
| XLogP3 | 0.0771 |
| Mr | 53.3582 |
| PSA | 115.06 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 31 |
| Ring number | 0 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCCCC(=O)O.OCCCO |
