Base information
| Cat. No. | |
| CAS No. | 180615-36-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.156 |
| Exact Mass | 193.038 |
| XLogP3 | 0.8776 |
| Mr | 47.8661 |
| PSA | 87.49 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC=C(c1ccc(cn1)C(=O)O)C=O |
