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113769-36-1 | Ethanone, 1-(6-hydroxy-2,3-diphenyl-5-benzofuranyl)-2-phenyl-
CAS No: 113769-36-1 Catalog No: AG0009LS MDL No:
Product Description
Catalog Number:
AG0009LS
Chemical Name:
Ethanone, 1-(6-hydroxy-2,3-diphenyl-5-benzofuranyl)-2-phenyl-
CAS Number:
113769-36-1
Molecular Formula:
C28H20O3
Molecular Weight:
404.4566
IUPAC Name:
1-(6-hydroxy-2,3-diphenyl-1-benzofuran-5-yl)-2-phenylethanone
InChI:
InChI=1S/C28H20O3/c29-24(16-19-10-4-1-5-11-19)22-17-23-26(18-25(22)30)31-28(21-14-8-3-9-15-21)27(23)20-12-6-2-7-13-20/h1-15,17-18,30H,16H2
InChI Key:
VPIGZMIDXDMVSP-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(cc1O)oc(c2c1ccccc1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.141g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.465g/mol
Monoisotopic Mass:
404.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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