Base information
| Cat. No. | |
| CAS No. | 52545-13-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.125 |
| Exact Mass | 125.048 |
| XLogP3 | 0.3835 |
| Mr | 33.5547 |
| PSA | 42.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc[nH]c(=O)c1 |
