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Chemical structure of Xanthoxylin

GC39116

Xanthoxylin

Also known as 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone

Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans

ChemicalCAS90-24-4MW196.2FormulaC10H12O4
CAS number
90-24-4
Molecular weight
196.2
Formula
C10H12O4
Solubility
DMSO ： 100 mg/mL (509·68 mM; Need ultrasonic)
InChIKey
FBUBVLUPUDBFME-UHFFFAOYSA-N
Catalogue number
GC39116
Brand
GLPBIO
Computed properties PubChem CID 66654 · XLogP 1.7 · TPSA 55.8 Ų · H-bond donors 1
XLogP
1.7
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

SMILES CC(=O)C1=C(C=C(C=C1OC)OC)O

Computed descriptors from PubChem (CID 66654), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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