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Beta-2'-Methoxynaphthoflavone

CAT: 0926-FM66356-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FM66356-02Size:500 mg
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CAS Number
206121-32-6
Synonyms
2'-Methoxy-beta-naphthoflavone
MDL Number
MFCD00016670
Smiles
COc1ccccc1C2=CC (=O) c3c (O2) ccc4ccccc34
Molecular Formula
C20H14O3
Molecular Weight
302.32 g/mol
Controlled
No

Chemical Information

3-(2-Methoxyphenyl)benzo[f]chromen-1-one
CAS Number206121-32-6
PubChem CID688681
IUPAC Name3-(2-methoxyphenyl)benzo[f]chromen-1-one
Molecular FormulaC20H14O3
Molecular Weight302.3
XLogP4.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
InChIKey
PCTZJHHURYBJOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Methoxyphenyl)benzo[f]chromen-1-one
CAS: 206121-32-6
CID: 688681
Formula: C20H14O3
MW: 302.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.3
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass302.094294304
Monoisotopic Mass302.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
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