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116071-71-7 | Methanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[1-(4-phenoxyphenyl)-
CAS No: 116071-71-7 Catalog No: AG000BK8 MDL No:
Product Description
Catalog Number:
AG000BK8
Chemical Name:
Methanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[1-(4-phenoxyphenyl)-
CAS Number:
116071-71-7
Molecular Formula:
C38H26O4
Molecular Weight:
546.6106
IUPAC Name:
[4-[4-(4-phenoxybenzoyl)phenyl]phenyl]-(4-phenoxyphenyl)methanone
InChI:
InChI=1S/C38H26O4/c39-37(31-19-23-35(24-20-31)41-33-7-3-1-4-8-33)29-15-11-27(12-16-29)28-13-17-30(18-14-28)38(40)32-21-25-36(26-22-32)42-34-9-5-2-6-10-34/h1-26H
InChI Key:
UCDPHEWZZUHIRQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccccc1)c1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.183g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.622g/mol
Monoisotopic Mass:
546.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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