HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 99622Erstellt: 3. November 2026
m3OMG
METHYL 3,4-DIHYDROXY-5-METHOXYBENZOATE · M3OMG · Bifendate-005 · Tryptophan-007 · RARECHEM AL BF 0702 · Bifendate Impurity 13 · Bicyclic alcohol impurity 6 · Methyl 3-methoxy-4,5-dihydroxybenzoate
https://huagongshe.com/de/chemical/99622
Identifikatoren & physikalische Daten
| CAS No. | 3934-86-9 |
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| Summenformel | C9H10O5 |
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| Durchschnittliche Molmasse | 198,17 g/mol |
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| Monoisotopische Masse | 198,05282342 g/mol |
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| SMILES | COC(=O)c1cc(O)c(O)c(OC)c1 |
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| InChIKey | LVVUKXKEXOTUPV-UHFFFAOYSA-N |
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| PubChem CID | 99622 |
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| ChEMBL | CHEMBL1933687 |
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| EC No. | 672-149-5 |
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| DTXSID | DTXSID70192562 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 76 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 205 |
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| Schmelzpunkt | 112-113 °C |
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| Siedepunkt | 391.7±37.0 °C(Predicted) |
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| Dichte | 1.337±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| pKa (Säurekonstante) | 8.21±0.23(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Off-white to yellow |
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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, P317, 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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| Zollcode | 2918999090 |
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