Identifikatoren & physikalische Daten
| CAS No. | 51439-47-5 |
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| Summenformel | C20H18O4 |
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| Durchschnittliche Molmasse | 322,4 g/mol |
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| Monoisotopische Masse | 322,12050905 g/mol |
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| SMILES | CC(=O)C(C(=O)c1ccccc1)C(C(C)=O)C(=O)c1ccccc1 |
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| InChIKey | IIHNJBVVXUOWFC-UHFFFAOYSA-N |
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| PubChem CID | 283201 |
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| EC No. | 150-459-7 |
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| DTXSID | DTXSID60300553 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 68,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 450 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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