Base information
| Cat. No. | |
| CAS No. | 6120-20-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13NaO3 |
| Molecular Weight | 252.241 |
| Exact Mass | 252.076 |
| XLogP3 | 2.2553 |
| Mr | 63.378 |
| PSA | 51.21 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)(C)C)[C-]1C(=O)c2c(C1=O)cccc2.[Na+] |
