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Guaietolin

CAT: 0013-GTR19280525-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280525-01Size:10 mg
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Description
Guaietolin is an organic synthesis intermediate used as a biomarker for hypertension, where its levels are significantly reduced in plasma metabolites. This compound is utilized in the synthesis of sulfonamide esters with carbonic anhydrase inhibitory activity. Additionally, Guaietolin is applicable in the research of glaucoma and hypertension.
CAS Number
63834-83-3
Smiles
OCC (O) COC=1C=CC=CC1OCC
Molecular Formula
C11H16O4
Molecular Weight
212.25
Notes
For research use only.

Chemical Information

3-(2-Ethoxyphenoxy)-1,2-propanediol
CAS Number63834-83-3
PubChem CID68825
IUPAC Name3-(2-ethoxyphenoxy)propane-1,2-diol
Molecular FormulaC11H16O4
Molecular Weight212.24
XLogP1.8
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity163
SMILES
CCOC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3
InChIKey
XLOYQLAMNLMXCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Ethoxyphenoxy)-1,2-propanediol
CAS: 63834-83-3
CID: 68825
Formula: C11H16O4
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass212.10485899
Monoisotopic Mass212.10485899
Topological Polar Surface Area58.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W412326Guaietolin

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