Identifikatoren & physikalische Daten
| CAS No. | 28166-41-8 |
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| Summenformel | C10H7NO3 |
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| Durchschnittliche Molmasse | 189,17 g/mol |
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| Monoisotopische Masse | 189,04259308 g/mol |
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| SMILES | N#CC(=Cc1ccc(O)cc1)C(=O)O |
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| InChIKey | AFVLVVWMAFSXCK-UHFFFAOYSA-N |
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| PubChem CID | 2102 |
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| ChEMBL | CHEMBL76602 |
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| EC No. | 248-879-1 |
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| DTXSID | DTXSID501018295 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 81,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 292 |
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| Stoffklassen | Other Uses -> Biochemical Research |
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| Physical Description | Powder[Sigma-Aldrich MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (98.8%) |
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