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A-Naphthoflavone extrapure AR, 98%

CAT: 0565-57955-01Size: 1 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
604-59-1
Storage Temperature
Room Temperature

Chemical Information

Alpha-Naphthoflavone

Alpha-naphthoflavone is an extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). It has a role as an EC 1.14.14.14 (aromatase) inhibitor, an aryl hydrocarbon receptor agonist and an aryl hydrocarbon receptor antagonist. It is an organic heterotricyclic compound, a naphtho-gamma-pyrone and an extended flavonoid.

CAS Number604-59-1
PubChem CID11790
IUPAC Name2-phenylbenzo[h]chromen-4-one
Molecular FormulaC19H12O2
Molecular Weight272.3
XLogP4.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity433
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKey
VFMMPHCGEFXGIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Naphthoflavone
CAS: 604-59-1
CID: 11790
Formula: C19H12O2
MW: 272.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.3
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass272.083729621
Monoisotopic Mass272.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity433
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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