HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22831703Erstellt: 30. Oktober 2026
5-(3-Methoxyphenyl)-1,2-oxazole-4-carboxylic acid
4-Isoxazolecarboxylic acid, 5-(3-methoxyphenyl)- · 5-(3-METHOXY-PHENYL)-ISOXAZOLE-4-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/22831703
Identifikatoren & physikalische Daten
| CAS No. | 887408-16-4 |
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| Summenformel | C11H9NO4 |
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| Durchschnittliche Molmasse | 219,19 g/mol |
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| Monoisotopische Masse | 219,05315777 g/mol |
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| SMILES | COc1cccc(-c2oncc2C(=O)O)c1 |
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| InChIKey | FCWFSEYDZRYAPT-UHFFFAOYSA-N |
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| PubChem CID | 22831703 |
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| EC No. | 997-453-8 |
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| DTXSID | DTXSID50628511 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 72,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 258 |
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| Siedepunkt | 397.1±27.0 °C(Predicted) |
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| Dichte | 1.310±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.94±0.36(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. 4 (100%) |
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