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Beta-Naphthoflavone

CAT: 0926-FN35416-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FN35416-01Size:10 g
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CAS Number
6051-87-2
MDL Number
MFCD00004986
Smiles
C1=CC=C (C=C1) C2=CC (=O) C3=C (O2) C=CC4=CC=CC=C43
Molecular Formula
C19H12O2
Molecular Weight
272.3 g/mol
Controlled
No

Chemical Information

Beta-Naphthoflavone

Beta-naphthoflavone is an extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. It has a role as an aryl hydrocarbon receptor agonist. It is an organic heterotricyclic compound, a naphtho-gamma-pyrone and an extended flavonoid.

CAS Number6051-87-2
PubChem CID2361
IUPAC Name3-phenylbenzo[f]chromen-1-one
Molecular FormulaC19H12O2
Molecular Weight272.3
XLogP4.4
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)C=CC4=CC=CC=C43
InChI
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChIKey
OUGIDAPQYNCXRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Naphthoflavone
CAS: 6051-87-2
CID: 2361
Formula: C19H12O2
MW: 272.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.3
XLogP34.4
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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