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163628-97-5 | 1,1'-Biphenyl, 3,3',4,4'-tetrakis(pentyloxy)-
CAS No: 163628-97-5 Catalog No: AG001U9R MDL No:
Product Description
Catalog Number:
AG001U9R
Chemical Name:
1,1'-Biphenyl, 3,3',4,4'-tetrakis(pentyloxy)-
CAS Number:
163628-97-5
Molecular Formula:
C32H50O4
Molecular Weight:
498.7370
IUPAC Name:
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
InChI:
InChI=1S/C32H50O4/c1-5-9-13-21-33-29-19-17-27(25-31(29)35-23-15-11-7-3)28-18-20-30(34-22-14-10-6-2)32(26-28)36-24-16-12-8-4/h17-20,25-26H,5-16,21-24H2,1-4H3
InChI Key:
AWHHRJDJKCNJRS-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(ccc1OCCCCC)c1ccc(c(c1)OCCCCC)OCCCCC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.371g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.748g/mol
Monoisotopic Mass:
498.371g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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