Identifikatoren & physikalische Daten
| CAS No. | 57103-57-8 |
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| Summenformel | C20H18O5 |
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| Durchschnittliche Molmasse | 338,4 g/mol |
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| Monoisotopische Masse | 338,11542368 g/mol |
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| SMILES | CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1 |
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| InChIKey | YIFYYPKWOQSCRI-AZUAARDMSA-N |
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| PubChem CID | 162807 |
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| ChEMBL | CHEMBL1774987 |
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| ChEBI | CHEBI:16470 |
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| EC No. | 694-411-8 |
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| DTXSID | DTXSID10205726 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 68,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 574 |
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| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207] |
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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)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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