Sofalcone
Bezeichnung:Sofalcone
CAS-Nr64506-49-6
Englisch Name:Sofalcone
CBNumberCB0143037
SummenformelC27H30O6
Molgewicht450.52
MOL-Datei64506-49-6.mol
Sofalcone physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 143-144° |
| Siedepunkt | 478.6°C (rough estimate) |
| Dichte | 1.1362 (rough estimate) |
| Brechungsindex | 1.4870 (estimate) |
| storage temp. | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| pka | 2.98±0.10(Predicted) |
| Farbe | Light Yellow |
| InChI | InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30) |
| InChIKey | GFWRVVCDTLRWPK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COC1=CC(OC/C=C(\C)/C)=CC=C1C(=O)C=CC1=CC=C(OC/C=C(\C)/C)C=C1 |
| CAS Datenbank | 64506-49-6(CAS DataBase Reference) |
