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88457-46-9 | Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl-
CAS No: 88457-46-9 Catalog No: AG004FII MDL No:
Product Description
Catalog Number:
AG004FII
Chemical Name:
Benzene, 1,1'-[1,8-octanediylbis(oxy)]bis[4-nonyl-
CAS Number:
88457-46-9
Molecular Formula:
C38H62O2
Molecular Weight:
550.8977
IUPAC Name:
1-nonyl-4-[8-(4-nonylphenoxy)octoxy]benzene
InChI:
InChI=1S/C38H62O2/c1-3-5-7-9-11-15-19-23-35-25-29-37(30-26-35)39-33-21-17-13-14-18-22-34-40-38-31-27-36(28-32-38)24-20-16-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
InChI Key:
QXOPKALJJPSADD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)OCCCCCCCCOc1ccc(cc1)CCCCCCCCC
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.475g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.912g/mol
Monoisotopic Mass:
550.475g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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