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4-Methyl-6-Methoxycoumarin

CAT: 0013-GTR19206834-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19206834-01Size:1 ml x 10 mM (in DMSO)
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Description
4-Methyl-6-methoxycoumarin is a coumarin derivative isolated from the plant Eupatorium pauciflorum. It serves as a useful reference standard and research compound for phytochemical analysis and in vitro studies of natural product chemistry.
CAS Number
6295-35-8
Product Name Alternative
4 Methyl 6 Methoxycoumarin, 4Methyl6Methoxycoumarin, 4-Methyl-6-Methoxycoumarin
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
96.34% (May vary between batches)
Solubility
DMSO:25 mg/mL (131.44 mM)
Smiles
COc1ccc2oc (=O) cc (C) c2c1
Molecular Formula
C11H10O3
Molecular Weight
190.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methoxy-4-methylcoumarin
CAS Number6295-35-8
PubChem CID223821
IUPAC Name6-methoxy-4-methylchromen-2-one
Molecular FormulaC11H10O3
Molecular Weight190.19
XLogP2.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity270
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OC
InChI
InChI=1S/C11H10O3/c1-7-5-11(12)14-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3
InChIKey
KNGPIBWCWOQBEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-4-methylcoumarin
CAS: 6295-35-8
CID: 223821
Formula: C11H10O3
MW: 190.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.19
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.062994177
Monoisotopic Mass190.062994177
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity270
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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