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1-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-on
Einecs 228-274-9 · 1-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethanone · 1-(8-hydroxy-2,3-dihydro-benzo[1,4]dioxin-5-yl)-ethanone · Ethanone, 1-(2,3-dihydro-8-hydroxy-1,4-benzodioxin-5-yl)- · 1-(2,3-dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-one
Identifikatoren & physikalische Daten
| CAS No. | 6204-62-2 |
|---|---|
| Summenformel | C10H10O4 |
| Durchschnittliche Molmasse | 194,18 g/mol |
| Monoisotopische Masse | 194,0579088 g/mol |
| SMILES | CC(=O)c1ccc(O)c2c1OCCO2 |
| InChIKey | JTCQHKLPDZBYKO-UHFFFAOYSA-N |
| PubChem CID | 80337 |
| EC No. | 228-274-9 |
| DTXSID | DTXSID90211103 |
| Lokaler Name | 1-(2,3-Dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 228 |
| Endocrine Disruptors | Potential endocrine disrupting compound |