Base information
| Cat. No. | |
| CAS No. | 86518-17-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.13 |
| Exact Mass | 163.027 |
| XLogP3 | 0.9336 |
| Mr | 42.2222 |
| PSA | 63.07 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1oc2c(c1)c(=O)[nH]cc2 |
