Identifikatoren & physikalische Daten
| CAS No. | 949-98-4 |
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| Summenformel | C10H9NO4 |
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| Durchschnittliche Molmasse | 207,18 g/mol |
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| SMILES | CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O |
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| InChIKey | AWWVCUPVXCDDHS-UHFFFAOYSA-N |
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| PubChem CID | 235115 |
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| EC No. | 635-103-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 83,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 284 |
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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 39 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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