Identifikatoren & physikalische Daten
| CAS No. | 303032-44-2 |
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| Summenformel | C13H15NO5 |
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| Durchschnittliche Molmasse | 265,26 g/mol |
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| Monoisotopische Masse | 265,09502258 g/mol |
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| SMILES | CCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC |
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| InChIKey | GPRMLEQARAQNLJ-UHFFFAOYSA-N |
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| PubChem CID | 720161 |
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| EC No. | 144-586-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 81,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 355 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, 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. 3 (100%) |
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