HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9855708Erstellt: 2. November 2026
4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
4-Oxochroman-2-carboxylic acid · 4-Oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid · 3,4-Dihydro-4-oxo-2H-1-benzopyran-2-carboxylic acid · 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-4-oxo-
https://huagongshe.com/de/chemical/9855708
Identifikatoren & physikalische Daten
| CAS No. | 51048-00-1 |
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| Summenformel | C10H8O4 |
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| Durchschnittliche Molmasse | 192,17 g/mol |
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| Monoisotopische Masse | 192,04225874 g/mol |
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| SMILES | O=C1CC(C(=O)O)Oc2ccccc21 |
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| InChIKey | UMRVOGNEHRFSJW-UHFFFAOYSA-N |
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| PubChem CID | 9855708 |
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| EC No. | 861-188-5 |
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| DTXSID | DTXSID60874148 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 63,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 261 |
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| Siedepunkt | 416.8±45.0 °C(Predicted) |
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| Dichte | 1.412±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.69±0.20(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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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