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6,7-Diethoxy-4-methylcoumarin

CAT: 0013-GTR19351052-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19351052-01Size:25 mg
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Description
This compound, a natural metabolite of Cordyceps militaris, serves as a fluorogenic substrate for enzymatic assays. It is utilized in biochemical research for in vitro studies, particularly in probing esterase and cytochrome P450 activities.
CAS Number
314744-06-4
Molecular Weight
248.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6,7-Diethoxy-4-methylcoumarin
CAS Number314744-06-4
PubChem CID688976
IUPAC Name6,7-diethoxy-4-methylchromen-2-one
Molecular FormulaC14H16O4
Molecular Weight248.27
XLogP2.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity337
SMILES
CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC
InChI
InChI=1S/C14H16O4/c1-4-16-12-7-10-9(3)6-14(15)18-11(10)8-13(12)17-5-2/h6-8H,4-5H2,1-3H3
InChIKey
BVALWPRSDDHKIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Diethoxy-4-methylcoumarin
CAS: 314744-06-4
CID: 688976
Formula: C14H16O4
MW: 248.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.27
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass248.10485899
Monoisotopic Mass248.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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