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Home Other Building Blocks 4H-1-Benzopyran-4-one, 7-methoxy-3-phenyl-

4H-1-Benzopyran-4-one, 7-methoxy-3-phenyl-

CAS No.:
1621-56-3
Catalog Number:
AG001SR5
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$126
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Product Description
Catalog Number:
AG001SR5
Chemical Name:
4H-1-Benzopyran-4-one, 7-methoxy-3-phenyl-
CAS Number:
1621-56-3
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
MDL Number:
MFCD00181416
IUPAC Name:
7-methoxy-3-phenylchromen-4-one
InChI:
InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
IECSQLKWZBEUGA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)occ(c2=O)c1ccccc1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Relationship between the structures of flavonoids and their NF-κB-dependent transcriptional activities. Bioorganic & medicinal chemistry letters 20111015
Isoflavone derivatives inhibit NF-κB-dependent transcriptional activity. Bioorganic & medicinal chemistry letters 20101101
Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands. Journal of medicinal chemistry 20090924
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties