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Formononetin

CAT: 1596-AR-F10784-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10784-01Size:10 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
Loading 3D structure...
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
TRC-F693200-1GFormononetin

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