Identifikatoren & physikalische Daten
| CAS No. | 1082916-60-6 |
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| Summenformel | C8H9NOS |
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| Durchschnittliche Molmasse | 167,23 g/mol |
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| Monoisotopische Masse | 167,04048508 g/mol |
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| SMILES | CC(Cc1cccs1)N=C=O |
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| InChIKey | JSCBCQPUPGCGAH-UHFFFAOYSA-N |
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| PubChem CID | 21753713 |
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| EC No. | 981-823-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 57,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 165 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P342+P316, P362+P364, P403, 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. 4 (100%) |
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