Identifikatoren & physikalische Daten
| CAS No. | 72678-82-1 |
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| Summenformel | C10H11NO3S |
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| Durchschnittliche Molmasse | 225,27 g/mol |
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| Monoisotopische Masse | 225,04596439 g/mol |
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| SMILES | O=C(O)C1CSC(c2ccccc2O)N1 |
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| InChIKey | APAUAYLVDHNFBF-UHFFFAOYSA-N |
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| PubChem CID | 327595 |
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| EC No. | 104-149-3 |
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| DTXSID | DTXSID70316423 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
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| Polarare Oberfläche (TPSA) | 94,9 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 5 |
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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 | 249 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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