Entacapone EP IMpurity I
- Product NameEntacapone EP IMpurity I
- CAS1364322-42-8
- MFC13H12N2O6
- MW292.24
- EINECS
- MOL File1364322-42-8.mol
Chemical Properties
| Melting point | 190-192 °C |
| Boiling point | 465.4±45.0 °C(Predicted) |
| Density | 1.448±0.06 g/cm3(Predicted) |
| pka | 4.96±0.50(Predicted) |
| InChI | InChI=1S/C13H12N2O6/c1-2-3-21-13(18)9(7-14)4-8-5-10(15(19)20)12(17)11(16)6-8/h4-6,16-17H,2-3H2,1H3/b9-4+ |
| InChIKey | FKCZGPKFDJMUSV-RUDMXATFSA-N |
| SMILES | C(OCCC)(=O)/C(/C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1 |
