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2,4-dihydroxy-3,4,6-trimethoxychalcone

CAT: 0013-GTR19260094-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260094-01Size:25 mg
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Description
2,4-dihydroxy-3,4,6-trimethoxychalcone
CAS Number
1776-29-0
Purity
>98% (HPLC)
Molecular Formula
C18H18O6
Molecular Weight
330.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CAS Number1776-29-0
PubChem CID3912575
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H18O6
Molecular Weight330.3
XLogP3.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity437
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)14(20)7-5-11-4-6-13(19)16(8-11)23-2/h4-10,19,21H,1-3H3
InChIKey
BXXKRESPUSMTEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CAS: 1776-29-0
CID: 3912575
Formula: C18H18O6
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass330.11033829
Monoisotopic Mass330.11033829
Topological Polar Surface Area85.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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