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Iretol

CAT: 0013-GTR19202686-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202686-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iretol is a natural aglycone degradation product derived from Iris florentina glycosides. It serves as a valuable small molecule research tool in biochemical studies and drug synthesis research, applicable in both in vitro enzymatic assays and metabolic pathway investigations.
CAS Number
487-71-8
Product Name Alternative
2-methoxybenzene-1,3,5-triol, 2,4,6-trihydroxyanisole, Iretol
Field of Research
Metabolism Research
Purity
99.91% (May vary between batches)
Smiles
OC=1C=C (O) C (OC) =C (O) C1
Molecular Formula
C7H8O4
Molecular Weight
156.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iretol
CAS Number487-71-8
PubChem CID4303263
IUPAC Name2-methoxybenzene-1,3,5-triol
Molecular FormulaC7H8O4
Molecular Weight156.14
XLogP0.8
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
COC1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C7H8O4/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,8-10H,1H3
InChIKey
ASTPOGDWGNJVEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iretol
CAS: 487-71-8
CID: 4303263
Formula: C7H8O4
MW: 156.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.14
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass156.04225873
Monoisotopic Mass156.04225873
Topological Polar Surface Area69.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
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
BA7559-25Iretol

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