Base information
| Cat. No. | |
| CAS No. | 1098881-13-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.178 |
| Exact Mass | 172.074 |
| XLogP3 | 0.6603 |
| Mr | 41.5128 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@H]1CC[C@H](C1)C(=O)O |
