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114212-57-6 | 1,1'-Biphenyl, 4-[(5-methylheptyl)oxy]-4'-octyl-
CAS No: 114212-57-6 Catalog No: AG000AT9 MDL No:
Product Description
Catalog Number:
AG000AT9
Chemical Name:
1,1'-Biphenyl, 4-[(5-methylheptyl)oxy]-4'-octyl-
CAS Number:
114212-57-6
Molecular Formula:
C28H42O
Molecular Weight:
394.6325
IUPAC Name:
1-(5-methylheptoxy)-4-(4-octylphenyl)benzene
InChI:
InChI=1S/C28H42O/c1-4-6-7-8-9-10-14-25-15-17-26(18-16-25)27-19-21-28(22-20-27)29-23-12-11-13-24(3)5-2/h15-22,24H,4-14,23H2,1-3H3
InChI Key:
KIBAYBCIBXVMBG-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)c1ccc(cc1)OCCCCC(CC)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.324g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.643g/mol
Monoisotopic Mass:
394.324g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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