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2,3-Dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-on
2,3-dihydroxanthotoxin · 4',5'-Dihydro-8-methoxypsoralen · 9-METHOXY-2,3-DIHYDROFURO[3,2-G]COUMARIN · 9-Methoxy-2H-furo[3,2-g]chroMen-7(3H)-one · 2-g][1]benzopyran-7-one,2,3-dihydro-9-methoxy-7h-furo[ · 2,3-dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one · 9-Methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one · 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy-
![Molekülstruktur von 2,3-Dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-on](/img/chemical/77409.png)
Identifikatoren & physikalische Daten
| CAS No. | 3779-03-1 |
|---|---|
| Summenformel | C12H10O4 |
| Durchschnittliche Molmasse | 218,2 g/mol |
| Monoisotopische Masse | 218,0579088 g/mol |
| SMILES | COc1c2c(cc3ccc(=O)oc13)CCO2 |
| InChIKey | BUNGCZLFHHXKBX-UHFFFAOYSA-N |
| PubChem CID | 77409 |
| ChEMBL | CHEMBL139604 |
| EC No. | 223-238-9 |
| DTXSID | DTXSID7063188 |
| Lokaler Name | 2,3-Dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 325 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 158-160°C |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| EPA chemische Informationen | 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy- (3779-03-1) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|
Anwendungen & Verwendung
Verwenden
4',5'-Dihydro-8-methoxypsoralen is a furocouramin derivative with insect antifeeding activity. 4',5'-Dihydro-8-methoxypsoralen is dihydro impurity as well as a metabolite of 8-Methoxypsoralen (M260795 ), also known as Methoxsalen.