Base information
| Cat. No. | |
| CAS No. | 521323-11-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.178 |
| Exact Mass | 172.074 |
| XLogP3 | -0.7088 |
| Mr | 39.9506 |
| PSA | 66.76 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCC1C(O)CC2C1CC(=O)O2 |
