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Kaempferol 3,5-dimethyl ether

CAT: 0931-TN6214Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6214Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1486-65-3
Bioactivity
Kaempferol 3,5-dimethyl ether is a natural product for research related to life sciences. The catalog number is TN6214 and the CAS number is 1486-65-3.
Smiles
COc1cc(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c12
Molecular Formula
C17H14O6
Molecular Weight
314.293
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kaempferol 3,5-dimethyl ether

Kaempferol 3,5-dimethyl ether has been reported in Chrysothamnus humilis and Dioscorea bulbifera with data available.

CAS Number1486-65-3
PubChem CID10470863
IUPAC Name7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-one
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP2.6
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity479
SMILES
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
InChI
InChI=1S/C17H14O6/c1-21-12-7-11(19)8-13-14(12)15(20)17(22-2)16(23-13)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
InChIKey
XMCNEMKKAQGVGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kaempferol 3,5-dimethyl ether
CAS: 1486-65-3
CID: 10470863
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area85.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity479
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

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