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HCID 600902Erstellt: 27. Oktober 2026
7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
7-hydroxy-2,2-dimethyl-4-chromanone · 2,2-Dimethyl-7-hydroxychroman-4-one · 7-HYDROXY-2,2-DIMETHYL-CHROMAN-4-ONE · 7-HYDROXY-2,2-DIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE · 7-Hydroxy-2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-4-one · 2,3-Dihydro-7-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one · 2,2-Dimethyl-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one · 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2,2-dimethyl-
https://huagongshe.com/de/chemical/600902
Identifikatoren & physikalische Daten
| CAS No. | 17771-33-4 |
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| Summenformel | C11H12O3 |
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| Durchschnittliche Molmasse | 192,21 g/mol |
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| Monoisotopische Masse | 192,07864424 g/mol |
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| SMILES | CC1(C)CC(=O)c2ccc(O)cc2O1 |
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| InChIKey | PHEWNYMTGPOCOP-UHFFFAOYSA-N |
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| PubChem CID | 600902 |
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| ChEMBL | CHEMBL1413378 |
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| EC No. | 853-968-9 |
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| DTXSID | DTXSID20344978 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 247 |
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| Schmelzpunkt | 172 °C(Solv: ethanol (64-17-5)) |
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| Siedepunkt | 354.3±42.0 °C(Predicted) |
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| Dichte | 1.196±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 7.75±0.40(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Off-white to pink |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P317, 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)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. 5 (100%) |
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| Zollcode | 2932990090 |
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| Gefahrenklasse | IRRITANT |
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