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Chemical structure of Iretol

GC39659

Iretol

Also known as 2-methoxybenzene-1,3,5-triol

Iretol (2,4,6-trihydroxyanisole) is a a degradation product of a glucoside obtained from Iris Jorentina

ChemicalCAS487-71-8MW156.14FormulaC7H8O4
CAS number
487-71-8
Molecular weight
156.14
Formula
C7H8O4
Solubility
DMSO: 62·5 mg/mL (400·28 mM)
InChIKey
ASTPOGDWGNJVEW-UHFFFAOYSA-N
Catalogue number
GC39659
Brand
GLPBIO
Computed properties PubChem CID 4303263 · XLogP 0.8 · TPSA 69.9 Ų · H-bond donors 3
XLogP
0.8
TPSA
69.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

SMILES COC1=C(C=C(C=C1O)O)O

Computed descriptors from PubChem (CID 4303263), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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