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

CAT: 0804-HY-N1730Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Hydroxy-3,4,5,6-tetramethoxychalcone is a Chalcones product that can be isolated from the herbs of Fissistigma bracteolatum[1].
CAS Number
219298-74-5
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C(C1=CC=CC=C1)/C=C/C2=C(OC)C(OC)=C(OC)C(OC)=C2O
Molecular Formula
C19H20O6
Molecular Weight
344.36
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Hydroxy-3,4,5,6-tetramethoxychalcone
CAS Number219298-74-5
PubChem CID73554054
IUPAC Name(E)-3-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-1-phenylprop-2-en-1-one
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP3.2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity445
SMILES
COC1=C(C(=C(C(=C1/C=C/C(=O)C2=CC=CC=C2)O)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-22-16-13(10-11-14(20)12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-11,21H,1-4H3/b11-10+
InChIKey
WKHFCYYMOLJMDZ-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3,4,5,6-tetramethoxychalcone
CAS: 219298-74-5
CID: 73554054
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area74.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity445
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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