7,8-Dimethoxycoumarin structure

7,8-Dimethoxycoumarin

7,8-dimethoxychromen-2-one

Also Known As: 7,8-Dimethoxycoumarin|Daphnetin dimethyl ether|7,8-dimethoxychromen-2-one|Etin dimetyl ether|Coumarin Impurity 4|Di-O-methyl-esculetin|7,8-dimethoxy-coumarin|2H-1-Benzopyran-2-one,7,8-dimethoxy-|Coumarin, 7,8-dimethoxy-|7,8-dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7,8-dimethoxy-|HY-N4280|7,8-Dimethoxy-2H-1-benzopyran-2-one|TN1552|FS-7067|7,8-dimethoxy-2H-chromen-2-one [M+H]+|AK-087/42718224|B2703-031269

CAS: 2445-80-9
Molecular Formula C11H10O4
Molecular Weight 206.0579 g/mol
LogP 1.9
Topological Polar Surface Area 44.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 206.0579
Monoisotopic Mass 206.0579
Heavy Atoms 15
Complexity 274.0

Chemical Identifiers

CAS Number 2445-80-9
SMILES COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
InChIKey CHBBSMUTOCUVDW-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (5 patents)

Product Overview

7,8-Dimethoxycoumarin (CAS 2445-80-9), with molecular formula C11H10O4 and molecular weight 206.0579 g/mol. IUPAC: 7,8-dimethoxychromen-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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