3-hydroxy-7,12-diketocholanoic acid
- Product Name3-hydroxy-7,12-diketocholanoic acid
- CAS517-33-9
- MFC24H36O5
- MW404.54
- EINECS
- MOL File517-33-9.mol
Chemical Properties
| Melting point | 190-192 °C(Solv: acetone (67-64-1)) |
| Boiling point | 582.2±50.0 °C(Predicted) |
| Density | 1.176±0.06 g/cm3(Predicted) |
| storage temp. | Hygroscopic, Refrigerator, under inert atmosphere |
| solubility | Methanol (Slightly), Water (Slightly) |
| pka | 4.74±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChIKey | MAFJMPFLJJCSTB-UYTGTBPWNA-N |
| SMILES | C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)C(=O)C2 |&1:4,8,10,12,14,19,20,r| |
| CAS DataBase Reference | 517-33-9 |
Safety Information
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
