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88457-45-8 | Benzene, 1,1'-[1,6-hexanediylbis(oxy)]bis[4-nonyl-
CAS No: 88457-45-8 Catalog No: AG004DL3 MDL No:
Product Description
Catalog Number:
AG004DL3
Chemical Name:
Benzene, 1,1'-[1,6-hexanediylbis(oxy)]bis[4-nonyl-
CAS Number:
88457-45-8
Molecular Formula:
C36H58O2
Molecular Weight:
522.8445
IUPAC Name:
1-nonyl-4-[6-(4-nonylphenoxy)hexoxy]benzene
InChI:
InChI=1S/C36H58O2/c1-3-5-7-9-11-13-17-21-33-23-27-35(28-24-33)37-31-19-15-16-20-32-38-36-29-25-34(26-30-36)22-18-14-12-10-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3
InChI Key:
JFAZGUUFLCCKFN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)OCCCCCCOc1ccc(cc1)CCCCCCCCC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.444g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.858g/mol
Monoisotopic Mass:
522.444g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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