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3,4-Dimethoxychalcone

CAT: 0926-FD137917-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FD137917-02Size:0.5 g
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CAS Number
5416-71-7
MDL Number
MFCD00041327
Smiles
COC1=C (C=C (C=C1) /C=C/C (=O) C2=CC=CC=C2) OC
Molecular Formula
C17H16O3
Molecular Weight
268.31 g/mol
Controlled
No

Chemical Information

3,4-Dimethoxychalcone

caloric restriction mimetic (CRM) compound that induces autophagy in human cell lines

CAS Number5416-71-7
PubChem CID5354494
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one
Molecular FormulaC17H16O3
Molecular Weight268.31
XLogP3.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity331
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
InChIKey
LSHZPTCZLWATBZ-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxychalcone
CAS: 5416-71-7
CID: 5354494
Formula: C17H16O3
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass268.109944368
Monoisotopic Mass268.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity331
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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