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4'-Methoxyresveratrol 5mg

CAT: 0628-A22388-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22388-5Size:5 mg
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CAS Number
33626-08-3

Chemical Information

Desoxyrhapontigenin

4'-O-methyl-trans-resveratrol is an ether. It is functionally related to a trans-resveratrol.

CAS Number33626-08-3
PubChem CID6255462
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP3.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity259
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
InChIKey
IHVRWFJGOIWMGC-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Desoxyrhapontigenin
CAS: 33626-08-3
CID: 6255462
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity259
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