Identifikatoren & physikalische Daten
| CAS No. | 499-02-5 |
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| Summenformel | C6H6O4 |
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| Durchschnittliche Molmasse | 142,11 g/mol |
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| Monoisotopische Masse | 142,02660867 g/mol |
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| SMILES | C=C1C(C(=O)O)C1C(=O)O |
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| InChIKey | XZVHROKAQFFOCA-UHFFFAOYSA-N |
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| PubChem CID | 360528 |
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| ChEMBL | CHEMBL1984577 |
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| EC No. | 123-662-3 |
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| DTXSID | DTXSID90964465 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 196 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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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