Base information
| Cat. No. | |
| CAS No. | 1585-90-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.125 |
| Exact Mass | 141.043 |
| XLogP3 | -1.1584 |
| Mr | 36.7408 |
| PSA | 57.61 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCN1C(=O)C=CC1=O |
