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α-Naphthoflavanone

CAT: 0926-FN66643-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FN66643-01Size:500 mg
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CAS Number
6051-86-1
MDL Number
MFCD00016692
Smiles
C1C (OC2=C (C1=O) C=CC3=CC=CC=C32) C4=CC=CC=C4
Molecular Formula
C19H14O2
Molecular Weight
274.31 g/mol
Controlled
No

Chemical Information

alpha-Naphthoflavanone
CAS Number6051-86-1
PubChem CID9898204
IUPAC Name2-phenyl-2,3-dihydrobenzo[h]chromen-4-one
Molecular FormulaC19H14O2
Molecular Weight274.3
XLogP4.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity385
SMILES
C1C(OC2=C(C1=O)C=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H14O2/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/h1-11,18H,12H2
InChIKey
QEVIKVQRCYXXSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Naphthoflavanone
CAS: 6051-86-1
CID: 9898204
Formula: C19H14O2
MW: 274.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.3
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass274.099379685
Monoisotopic Mass274.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity385
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

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