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6,2',4'-Trimethoxyflavone

CAT: 0572-TRC-T796948-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796948-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
720675-74-1
Synonyms
2',4',6-Trimethoxyflavone; 2-(2,4-Dimethoxyphenyl)-6-methoxy-4H-chromen-4-one
Hazard Statement
No Data Available
Smiles
O=C1C=C(C2=C(OC)C=C(OC)C=C2)OC3=CC=C(C=C13)OC
Molecular Formula
C18H16O5
Molecular Weight
312.32
InChI
InChI=1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3
Additionnal Information
IUPAC name: 2-(2,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6,2',4'-Trimethoxyflavanone
CAS Number720675-74-1
PubChem CID4045016
IUPAC Name2-(2,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Molecular FormulaC18H18O5
Molecular Weight314.3
XLogP2.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity412
SMILES
COC1=CC2=C(C=C1)OC(CC2=O)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C18H18O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-9,18H,10H2,1-3H3
InChIKey
GLQDUOUZVYGIDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,2',4'-Trimethoxyflavanone
CAS: 720675-74-1
CID: 4045016
Formula: C18H18O5
MW: 314.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass314.11542367
Monoisotopic Mass314.11542367
Topological Polar Surface Area54 Ų
Heavy Atom Count23
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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