HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2',4'-Dihydroxybutyrophenon
1-(2,4-Dihydroxyphenyl) · 2',4'-dihydroxybutyrophenone · 2'，4'-dihydroxybenzenebutylone · 1-(2,4-Dihydroxyphenyl)-1-butanone · 1-(2,4-dihydroxyphenyl)butan-1-one · 1-Butanone,1-(2,4-dihydroxyphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 4390-92-5 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CCCC(=O)c1ccc(O)cc1O |
| InChIKey | IWADIQGGJLCBRK-UHFFFAOYSA-N |
| PubChem CID | 78103 |
| ChEMBL | CHEMBL1727046 |
| ChEBI | CHEBI:173857 |
| EC No. | 224-508-9 |
| DTXSID | DTXSID80195983 |
| Lokaler Name | 2',4'-Dihydroxybutyrophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 179 |
| Schmelzpunkt | 73 °C |
| Physical Description | Solid |
| Siedepunkt | 338.5±12.0 °C(Predicted) |
| Dichte | 1.194±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.72±0.35(Predicted) |
| Farbe | white powder |
| InChI | InChI=1S/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3 |
| InChIKey | IWADIQGGJLCBRK-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C=C1O)(=O)CCC |