Identifikatoren & physikalische Daten
| CAS No. | 1991-83-9 |
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| Summenformel | C9H10N2O4 |
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| Durchschnittliche Molmasse | 210,19 g/mol |
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| Monoisotopische Masse | 210,0640568 g/mol |
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| SMILES | NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O |
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| InChIKey | GTVVZTAFGPQSPC-UHFFFAOYSA-N |
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| PubChem CID | 65089 |
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| ChEBI | CHEBI:48496 |
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| EC No. | 220-868-6 |
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| DTXSID | DTXSID40862482 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
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| Polarare Oberfläche (TPSA) | 109 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 243 |
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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)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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