Base information
| Cat. No. | |
| CAS No. | 3749-51-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.125 |
| Exact Mass | 125.048 |
| XLogP3 | 0.3889 |
| Mr | 34.0517 |
| PSA | 53.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(C)[nH]c(=O)c1 |
