Identifikatoren & physikalische Daten
| CAS No. | 7657-50-3 |
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| Summenformel | C19H32O |
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| Durchschnittliche Molmasse | 276,5 g/mol |
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| Monoisotopische Masse | 276,24531564 g/mol |
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| SMILES | C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 |
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| InChIKey | DJTOLSNIKJIDFF-PHFHYRSDSA-N |
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| PubChem CID | 449196 |
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| ChEMBL | CHEMBL2311171 |
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| ChEBI | CHEBI:79998 |
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| EC No. | 148-951-1 |
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| DTXSID | DTXSID701316180 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,9 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 391 |
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Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, 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 Chronic 4 (100%) |
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