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Dihydroformononetin

CAT: 0572-TRC-D453338-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D453338-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4626-22-6
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
COc1ccc(cc1)C2COc3cc(O)ccc3C2=O
Molecular Formula
C16 H14 O4
Molecular Weight
270.281
Additionnal Information
IUPAC name: 7-hydroxy-3-(4-methoxyphenyl)chroman-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dihydroformononetin

Dihydroformononetin is an ether and a member of flavonoids.

CAS Number4626-22-6
PubChem CID14730796
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP2.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
COC1=CC=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
InChIKey
INYISIYHXQDCPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydroformononetin
CAS: 4626-22-6
CID: 14730796
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FD66366-01Dihydroformononetin

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