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Xanthoxyline

CAT: 1410-M19245-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Xanthoxylin is a borneol and camphor tasting compound and can be found in a number of food items such as fats and oils, herbs and spices, pomegranate, and sweet orange.
CAS Number
90-24-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
196.2
Molecular Formula
C10H12O4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Xanthoxylin

Xanthoxylin is a carboxylic ester. It is functionally related to a phloroglucinol.

CAS Number90-24-4
PubChem CID66654
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
CC(=O)C1=C(C=C(C=C1OC)OC)O
InChI
InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey
FBUBVLUPUDBFME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthoxylin
CAS: 90-24-4
CID: 66654
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C6592-100Xanthoxyline

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