Base information
| Cat. No. | |
| CAS No. | 52009-49-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10CaO2 |
| Molecular Weight | 178.242 |
| Exact Mass | 178.031 |
| XLogP3 | 1.5387 |
| Mr | 40.2108 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cc1ccccc1.[CaH2] |
