Base information
| Cat. No. | |
| CAS No. | 25609-89-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.178 |
| Exact Mass | 172.074 |
| XLogP3 | 1.3401 |
| Mr | 44.7928 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 22 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OC=C.C/C=C/C(=O)O |
