Identifikatoren & physikalische Daten
| CAS No. | 104196-81-8 |
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| Summenformel | C7H12O3 |
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| Durchschnittliche Molmasse | 144,17 g/mol |
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| Monoisotopische Masse | 144,07864424 g/mol |
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| SMILES | C=CC[C@H](O)C(=O)OCC |
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| InChIKey | BHBWGDPROGTKMS-LURJTMIESA-N |
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| PubChem CID | 13641069 |
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| EC No. | 962-729-9 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 120 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 | Flam. Liq. 4 (100%) |
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