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5,7,4'-Trimethoxyflavone 1mg

CAT: 0628-A22408-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
5631-70-9

Chemical Information

5,7,4'-Trimethoxyflavone

4',5,7-Trimethoxyflavone is an ether and a member of flavonoids.

CAS Number5631-70-9
PubChem CID79730
IUPAC Name5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP2.2
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity452
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
InChIKey
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7,4'-Trimethoxyflavone
CAS: 5631-70-9
CID: 79730
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP32.2
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
Complexity452
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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