HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Flavone-8-Acetic Acid
LM-975 · NSC-37512 · NSC-347512 · Mitoflaxone · flavone acetic acid · FLAVONE-8-ACETICACID · 2-(4-oxo-2-phenylchromen-8-yl)acetic acid · 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid
Identifikatoren & physikalische Daten
| CAS No. | 87626-55-9 |
|---|---|
| Summenformel | C17H12O4 |
| Durchschnittliche Molmasse | 280,27 g/mol |
| Monoisotopische Masse | 280,07355886 g/mol |
| SMILES | O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 |
| InChIKey | TZZNWMJZDWYJAZ-UHFFFAOYSA-N |
| PubChem CID | 55748 |
| ChEMBL | CHEMBL443793 |
| DTXSID | DTXSID50236534 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 448 |
| Löslichkeit | Water < 0.1 (mg/mL)0.1 N NaOH ~20 (mg/mL)0.1 N HCl < 0.1 (mg/mL)0.1 M NaHCO3 < 0.3 (mg/mL)95% EtOH 1 (mg/mL)MeOH 1 (mg/mL) |
| Stability/Shelf Life | Bulk: As a bulk chemical, Flavone -8- acetic acid is stable for at least 3 months at 60 °C (HPLC). Solution: Solutions of 1 mg/mL dissolved in 0.1 N NaOH (pH 9) showed no decomposition for at least 27 hours. |
| Schmelzpunkt | 234 °C(Solv: ethanol (64-17-5)) |
| Siedepunkt | 507.9±50.0 °C(Predicted) |
| Dichte | 1.355±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.16±0.10(Predicted) |