Identifikatoren & physikalische Daten
| CAS No. | 70894-40-5 |
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| Summenformel | C18H16O4 |
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| Durchschnittliche Molmasse | 296,3 g/mol |
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| Monoisotopische Masse | 296,10485899 g/mol |
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| SMILES | COc1ccc(-c2c(C)oc3cc(OC)ccc3c2=O)cc1 |
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| InChIKey | QHMHKLMWWCUVOU-UHFFFAOYSA-N |
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| PubChem CID | 746413 |
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| EC No. | 126-617-6 |
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| DTXSID | DTXSID80353607 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 44,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 448 |
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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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