Identifikatoren & physikalische Daten
| CAS No. | 518-45-6 |
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| Summenformel | C20H12O5 |
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| Durchschnittliche Molmasse | 332,3 g/mol |
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| Monoisotopische Masse | 332,06847348 g/mol |
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| SMILES | O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 |
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| InChIKey | YKGGGCXBWXHKIZ-UHFFFAOYSA-N |
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| PubChem CID | 3383 |
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| ChEMBL | CHEMBL177756 |
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| ChEBI | CHEBI:172923 |
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| EC No. | 108-123-2 |
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| DTXSID | DTXSID601031482 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 83,8 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 686 |
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| SpringerMaterials Properties | Angular frequency |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, 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 | Skin Irrit. 2 (100%) |
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