Base information
| Cat. No. | |
| CAS No. | 188554-13-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.109 |
| Exact Mass | 123.032 |
| XLogP3 | 0.1874 |
| Mr | 32.4502 |
| PSA | 49.93 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc[nH]c(=O)c1 |
