Base information
| Cat. No. | |
| CAS No. | 586-42-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.158 |
| Exact Mass | 164.047 |
| XLogP3 | 1.5874 |
| Mr | 43.5958 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cccc(c1)C(=O)O |
