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Licochalcone A

CAT: 0926-FL46247-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FL46247-02Size:100 mg
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CAS Number
58749-22-7
MDL Number
MFCD01417903
Smiles
CC (C) (C=C) C1=C (C=C (C (=C1) /C=C/C (=O) C2=CC=C (C=C2) O) OC) O
Molecular Formula
C21H22O4
Molecular Weight
338.4 g/mol
Controlled
No

Chemical Information

Licochalcone A

Licochalcone A is a member of chalcones.

CAS Number58749-22-7
PubChem CID5318998
IUPAC Name(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP4.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity488
SMILES
CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O
InChI
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
InChIKey
KAZSKMJFUPEHHW-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Licochalcone A
CAS: 58749-22-7
CID: 5318998
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.15180918
Monoisotopic Mass338.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity488
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

Alternative Products

CatalogName
N2417-20Licochalcone A
TBZ0551Licochalcone
MBS578467LICOCHALCONE-A

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