Base information
| Cat. No. | |
| CAS No. | 66171-50-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.135 |
| Exact Mass | 153.043 |
| XLogP3 | 0.1615 |
| Mr | 38.3422 |
| PSA | 59.16 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(=O)[nH]c1 |
