Base information
| Cat. No. | |
| CAS No. | 6947-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.11 |
| Exact Mass | 126.032 |
| XLogP3 | 1.2862 |
| Mr | 30.6333 |
| PSA | 50.44 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1occc1C(=O)O |
