HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5338538Erstellt: 27. Oktober 2026
3-Benzyl-4-methylumbelliferone
3-Benzyl-4-methylumbelliferon · 3-benzyl-4-methylumbelliferone · Benzyl .beta.-methylumbelliferone · Coumarin, 3-benzyl-7-hydroxy-4-methyl- · 3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one · 2H-Chromen-2-one, 3-benzyl-7-hydroxy-4-methyl- · 7-hydroxy-4-methyl-3-(phenylmethyl)chromen-2-one · 7-hydroxy-4-methyl-3-(phenylmethyl)-2-chromenone
https://huagongshe.com/de/chemical/5338538
Identifikatoren & physikalische Daten
| CAS No. | 86-44-2 |
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| Summenformel | C17H14O3 |
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| Durchschnittliche Molmasse | 266,29 g/mol |
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| Monoisotopische Masse | 266,09429431 g/mol |
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| SMILES | Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12 |
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| InChIKey | IDFOCEQDKOOOER-UHFFFAOYSA-N |
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| PubChem CID | 5338538 |
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| ChEMBL | CHEMBL592042 |
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| EC No. | 166-205-3 |
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| DTXSID | DTXSID5075361 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 406 |
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| EPA chemische Informationen | 3-Benzyl-4-methyl-7-hydroxycoumarin (86-44-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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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| Zollcode | 2932209088 |
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| Gefahrenklasse | IRRITANT |
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