Base information
| Cat. No. | |
| CAS No. | 623-91-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.178 |
| Exact Mass | 172.074 |
| XLogP3 | 0.6688 |
| Mr | 42.666 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 23 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)/C=C/C(=O)OCC |
