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Nodakenetin 10mg

CAT: 0628-A22428-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22428-10Size:10 mg
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CAS Number
495-32-9

Chemical Information

Nodakenetin

Nodakenetin is a marmesin with R-configuration. It has a role as a xenobiotic metabolite, a plant metabolite and a rat metabolite. It is an enantiomer of a (+)-marmesin.

CAS Number495-32-9
PubChem CID26305
IUPAC Name(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular FormulaC14H14O4
Molecular Weight246.26
XLogP1.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity387
SMILES
CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI
InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
InChIKey
FWYSBEAFFPBAQU-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Nodakenetin
CAS: 495-32-9
CID: 26305
Formula: C14H14O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass246.08920892
Monoisotopic Mass246.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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