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Coumestrol

CAT: 0024-sc-205638Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205638Size:10 mg
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CAS Number
479-13-0

Chemical Information

Coumestrol

Coumestrol is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an antioxidant, an anti-inflammatory agent and a plant metabolite. It is a delta-lactone, a polyphenol and a member of coumestans. It is functionally related to a coumestan.

CAS Number479-13-0
PubChem CID5281707
IUPAC Name3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular FormulaC15H8O5
Molecular Weight268.22
XLogP2.8
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity411
SMILES
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
InChI
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coumestrol
CAS: 479-13-0
CID: 5281707
Formula: C15H8O5
MW: 268.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.22
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass268.03717335
Monoisotopic Mass268.03717335
Topological Polar Surface Area79.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity411
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
C5832-5Coumestrol
C25972-01Coumestrol 97%
HY-N2335R-01Coumestrol (Standard)
445083-01Coumestrol dimethyl ether

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