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162047-76-9 | 1,1':4',1''-Terphenyl, 2'-methyl-4,4''-bis(decyloxy)- (9CI)
CAS No: 162047-76-9 Catalog No: AG001SNX MDL No:
Product Description
Catalog Number:
AG001SNX
Chemical Name:
1,1':4',1''-Terphenyl, 2'-methyl-4,4''-bis(decyloxy)- (9CI)
CAS Number:
162047-76-9
Molecular Formula:
C39H56O2
Molecular Weight:
556.8607
IUPAC Name:
1,4-bis(4-decoxyphenyl)-2-methylbenzene
InChI:
InChI=1S/C39H56O2/c1-4-6-8-10-12-14-16-18-30-40-37-25-20-34(21-26-37)36-24-29-39(33(3)32-36)35-22-27-38(28-23-35)41-31-19-17-15-13-11-9-7-5-2/h20-29,32H,4-19,30-31H2,1-3H3
InChI Key:
SKZMQQGEYYKMOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ccc(c(c1)C)c1ccc(cc1)OCCCCCCCCCC
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.428g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.875g/mol
Monoisotopic Mass:
556.428g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
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