HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 106978Erstellt: 30. Oktober 2026
4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-3-carbonsure
Einecs 267-828-4 · 1-(2-methyl-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid · 4-(3-Carboxy-5-oxo-2-pyrazolin-1-yl)-3-methylbenzenesulfonic acid · 4,5-Dihydro-5-oxo-1-(2-methyl-4-sulfophenyl)-1H-pyrazole-3-carboxylic acid · 4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid · 1-(2-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid · 4,5-dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid · 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
https://huagongshe.com/de/chemical/106978
Identifikatoren & physikalische Daten
| CAS No. | 67939-25-7 |
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| Summenformel | C11H10N2O6S |
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| Durchschnittliche Molmasse | 298,27 g/mol |
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| Monoisotopische Masse | 298,02595722 g/mol |
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| SMILES | Cc1cc(S(=O)(=O)O)ccc1N1N=C(C(=O)O)CC1=O |
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| InChIKey | WPBFQWYLRKBVCE-UHFFFAOYSA-N |
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| PubChem CID | 106978 |
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| ChEMBL | CHEMBL1800274 |
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| EC No. | 267-828-4 |
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| DTXSID | DTXSID5070868 |
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| Lokaler Name | 4,5-Dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-3-carbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0 |
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| Polarare Oberfläche (TPSA) | 133 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 564 |
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| EPA chemische Informationen | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- (67939-25-7) |
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Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
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