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188578-94-1 | Methanone, [1,11-undecanediylbis(oxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS No: 188578-94-1 Catalog No: AG002H0C MDL No:
Product Description
Catalog Number:
AG002H0C
Chemical Name:
Methanone, [1,11-undecanediylbis(oxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS Number:
188578-94-1
Molecular Formula:
C37H40O4
Molecular Weight:
548.7111
IUPAC Name:
[4-[11-(4-benzoylphenoxy)undecoxy]phenyl]-phenylmethanone
InChI:
InChI=1S/C37H40O4/c38-36(30-16-10-8-11-17-30)32-20-24-34(25-21-32)40-28-14-6-4-2-1-3-5-7-15-29-41-35-26-22-33(23-27-35)37(39)31-18-12-9-13-19-31/h8-13,16-27H,1-7,14-15,28-29H2
InChI Key:
IQLABADTONXHQO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)OCCCCCCCCCCCOc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.293g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.723g/mol
Monoisotopic Mass:
548.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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