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6-Hydroxy-3,4,5,2,3,4-Hexamethoxychalcone

CAT: 0013-GTR19236871-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236871-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
The seeds of Cassia occidentalis.
CAS Number
1818307-98-0
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C21H24O8
Molecular Weight
404.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS Number1818307-98-0
PubChem CID171933554
IUPAC Name(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Molecular FormulaC21H24O8
Molecular Weight404.4
XLogP3.7
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity525
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC
InChI
InChI=1S/C21H24O8/c1-24-15-9-12(10-16(25-2)19(15)27-4)7-8-13(22)18-14(23)11-17(26-3)20(28-5)21(18)29-6/h7-11,23H,1-6H3/b8-7+
InChIKey
NLBFIEIZNLKANA-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS: 1818307-98-0
CID: 171933554
Formula: C21H24O8
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass404.14711772
Monoisotopic Mass404.14711772
Topological Polar Surface Area92.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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