Identifikatoren & physikalische Daten
| CAS No. | 18153-10-1 |
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| Summenformel | C8H9NO3 |
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| Durchschnittliche Molmasse | 167,16 g/mol |
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| SMILES | O=C1NC(=O)C2C3CCC(O3)C12 |
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| InChIKey | VKWSKNKAHKHDRI-UHFFFAOYSA-N |
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| PubChem CID | 239727 |
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| EC No. | 663-022-5 |
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| DTXSID | DTXSID30939450 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
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| Polarare Oberfläche (TPSA) | 55,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 249 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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 | Acute Tox. 4 (100%) |
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