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3-Hydroxy-6-methoxyflavone

CAT: 0013-GTR19243433-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243433-03Size:100 mg
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Description
6-Methoxyflavonol (Compound 15) is a natural flavone isolated from the marine-derived fungus Aspergillus candidus.
CAS Number
93176-00-2
Purity
>98% (HPLC)
Smiles
O=C1C=2C (OC (=C1O) C3=CC=CC=C3) =CC=C (OC) C2
Molecular Formula
C16H12O4
Molecular Weight
268.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3-Hydroxy-6-methoxyflavone
CAS Number93176-00-2
PubChem CID688676
IUPAC Name3-hydroxy-6-methoxy-2-phenylchromen-4-one
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP3.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity409
SMILES
COC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O4/c1-19-11-7-8-13-12(9-11)14(17)15(18)16(20-13)10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKey
OGURJSOPVFCIOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-6-methoxyflavone
CAS: 93176-00-2
CID: 688676
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP33.4
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
Complexity409
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