Identifikatoren & physikalische Daten
| CAS No. | 18357-38-5 |
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| Summenformel | C17H12O2 |
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| Durchschnittliche Molmasse | 248,27 g/mol |
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| Monoisotopische Masse | 248,08372962 g/mol |
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| SMILES | O=c1c(-c2ccccc2)cocc1-c1ccccc1 |
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| InChIKey | JOTAMMMRYKLWBB-UHFFFAOYSA-N |
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| PubChem CID | 282189 |
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| ChEMBL | CHEMBL2143881 |
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| EC No. | 105-746-1 |
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| DTXSID | DTXSID90300208 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 357 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, 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 | Acute Tox. 3 (100%) |
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