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MRS928

CAT: 0127-BUP02722-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02722-02Size:5 mg
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CAS Number
26964-29-4
Synonyms
3,5,7-Trimethoxyflavone, MRS-928, MRS 928
Purity
=98%
Smiles
O(C)C1=C2C(OC(=C(OC)C2=O)C3=CC=CC=C3)=CC(OC)=C1

Chemical Information

Galangin 3,5,7-trimethyl ether

Galangin 3,5,7-trimethyl ether is a trimethoxyflavone that is the 3,5,7-trimethyl ether derivative of galangin. It has a role as a plant metabolite. It is functionally related to a galangin.

CAS Number26964-29-4
PubChem CID117900
IUPAC Name3,5,7-trimethoxy-2-phenylchromen-4-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP3.3
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity466
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey
CBTHKWVPSIGKMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Galangin 3,5,7-trimethyl ether
CAS: 26964-29-4
CID: 117900
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass312.09977361
Monoisotopic Mass312.09977361
Topological Polar Surface Area54 Ų
Heavy Atom Count23
Formal Charge0
Complexity466
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

Alternative Products

CatalogName
MBS3613818-01MRS928

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