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Formononetin

CAT: 1596-AR-F10784-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10784-02Size:25 Units
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CAS Number
485-72-3
Synonyms
7-Hydroxy-3- (4-methoxyphenyl) -4H-chromen-4-one
Molecular Formula
C16H12O4
Molecular Weight
268.27
API Name
Formononetin

Chemical Information

Formononetin

Formononetin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. It has a role as a plant metabolite and a phytoestrogen. It is a member of 4'-methoxyisoflavones and a member of 7-hydroxyisoflavones. It is functionally related to a daidzein. It is a conjugate acid of a formononetin(1-).

CAS Number485-72-3
PubChem CID5280378
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP2.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity395
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChIKey
HKQYGTCOTHHOMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Formononetin
CAS: 485-72-3
CID: 5280378
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.07355886
Monoisotopic Mass268.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity395
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
GP6496-100mgFormononetin

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