Base information
| Cat. No. | |
| CAS No. | 111-77-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H12O3 |
| Molecular Weight | 120.147 |
| Exact Mass | 120.079 |
| XLogP3 | -0.3583 |
| Mr | 29.4808 |
| PSA | 38.69 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCCOCCO |
