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Isoflavone

CAT: 0127-BUP18318-04Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18318-04Size:10 g
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CAS Number
574-12-9
Purity
=80%
Smiles
O=c1c(coc2ccccc12)-c1ccccc1

Chemical Information

Isoflavone

Isoflavone is a simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group.

CAS Number574-12-9
PubChem CID72304
IUPAC Name3-phenylchromen-4-one
Molecular FormulaC15H10O2
Molecular Weight222.24
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity326
SMILES
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
InChIKey
GOMNOOKGLZYEJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoflavone
CAS: 574-12-9
CID: 72304
Formula: C15H10O2
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass222.068079557
Monoisotopic Mass222.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity326
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
HY-W006405-01Isoflavone
HY-W006405RIsoflavone (Standard)
HY-N1135Toxicarol isoflavone
GTR19184128-01Soy Isoflavone
XI164023Isoflavone - 98%
MBS7159876Isoflavone reductase homolog Antibody
GTR18800619Soy Isoflavone Standards Kit
OSRQS-K006MSoy Isoflavone Quantitative Kit
AS16 3847Anti-IFR | isoflavone reductase

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