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79930-53-3 | 3-(2,4-dimethoxyphenyl)-3-phenyl-2-benzofuran-1(3h)-one
CAS No: 79930-53-3 Catalog No: AG005EXK MDL No:
Product Description
Catalog Number:
AG005EXK
Chemical Name:
3-(2,4-dimethoxyphenyl)-3-phenyl-2-benzofuran-1(3h)-one
CAS Number:
79930-53-3
Molecular Formula:
C22H18O4
Molecular Weight:
346.3759
IUPAC Name:
3-(2,4-dimethoxyphenyl)-3-phenyl-2-benzofuran-1-one
InChI:
InChI=1S/C22H18O4/c1-24-16-12-13-19(20(14-16)25-2)22(15-8-4-3-5-9-15)18-11-7-6-10-17(18)21(23)26-22/h3-14H,1-2H3
InChI Key:
MKEWHFHXNVMHES-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)C1(OC(=O)c2c1cccc2)c1ccccc1
NSC Number:
50159
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.382g/mol
Monoisotopic Mass:
346.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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