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188578-93-0 | Methanone, [1,9-nonanediylbis(oxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS No: 188578-93-0 Catalog No: AG002H0D MDL No:
Product Description
Catalog Number:
AG002H0D
Chemical Name:
Methanone, [1,9-nonanediylbis(oxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS Number:
188578-93-0
Molecular Formula:
C35H36O4
Molecular Weight:
520.6579
IUPAC Name:
[4-[9-(4-benzoylphenoxy)nonoxy]phenyl]-phenylmethanone
InChI:
InChI=1S/C35H36O4/c36-34(28-14-8-6-9-15-28)30-18-22-32(23-19-30)38-26-12-4-2-1-3-5-13-27-39-33-24-20-31(21-25-33)35(37)29-16-10-7-11-17-29/h6-11,14-25H,1-5,12-13,26-27H2
InChI Key:
JGQIRTYMPMCMLR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)OCCCCCCCCCOc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.261g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.669g/mol
Monoisotopic Mass:
520.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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