Base information
| Cat. No. | |
| CAS No. | 70735-79-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.157 |
| Exact Mass | 177.043 |
| XLogP3 | 1.3237 |
| Mr | 47.0292 |
| PSA | 63.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cccc2c1[nH]c(=O)o2 |
