Identifikatoren & physikalische Daten
| CAS No. | 408312-82-3 |
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| Summenformel | C13H16O3 |
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| Durchschnittliche Molmasse | 220,26 g/mol |
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| Monoisotopische Masse | 220,10994437 g/mol |
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| SMILES | COc1cc2c(cc1OC)C(=O)CC(C)C2 |
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| InChIKey | BBRBRTKBBDVNOL-UHFFFAOYSA-N |
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| PubChem CID | 64478317 |
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| EC No. | 852-007-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 35,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 264 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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