Base information
| Cat. No. | |
| CAS No. | 111-30-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.116 |
| Exact Mass | 100.052 |
| XLogP3 | 0.5545 |
| Mr | 26.549 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=CCCCC=O |
