Identifikatoren & physikalische Daten
| CAS No. | 10485-94-6 |
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| Summenformel | C6H12O5 |
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| Durchschnittliche Molmasse | 164,16 g/mol |
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| Monoisotopische Masse | 164,06847348 g/mol |
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| SMILES | CC1OC(O)C(O)C(O)C1O |
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| InChIKey | SHZGCJCMOBCMKK-UHFFFAOYSA-N |
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| PubChem CID | 840 |
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| ChEMBL | CHEMBL273741 |
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| ChEBI | CHEBI:231571 |
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| EC No. | 201-785-4 |
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| DTXSID | DTXSID00862943 |
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Chemische & physikalische Eigenschaften
| XLogP | -2,1 |
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| Polarare Oberfläche (TPSA) | 90,2 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| Siedepunkt | 399.1±35.0 °C(Predicted) |
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| Dichte | 1.410±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 12.50±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Not ClassifiedAggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Not Classified |
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