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Euparone

CAT: 0013-GTR19181669Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181669Size:5 mg
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Description
Euparone is a benzofuran natural product isolated from the plant Ruscus aculeatus L. It serves as a research tool for studying biological activities and has been utilized in both in vitro and in vivo experimental models within pharmacological and phytochemical research.
CAS Number
53947-86-7
Smiles
CC (=O) c1cc2cc (C (C) =O) c (O) cc2o1
Molecular Formula
C12H10O4
Molecular Weight
218.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Euparone

from Ruscus aculeatus L.; structure

CAS Number53947-86-7
PubChem CID104654
IUPAC Name1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP2.2
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity312
SMILES
CC(=O)C1=CC2=CC(=C(C=C2O1)O)C(=O)C
InChI
InChI=1S/C12H10O4/c1-6(13)9-3-8-4-11(7(2)14)16-12(8)5-10(9)15/h3-5,15H,1-2H3
InChIKey
FOXRXAILTBHLQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Euparone
CAS: 53947-86-7
CID: 104654
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area67.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity312
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

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