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114212-59-8 | 1,1'-Biphenyl, 4-dodecyl-4'-(2-methylbutoxy)-
CAS No: 114212-59-8 Catalog No: AG000AT8 MDL No:
Product Description
Catalog Number:
AG000AT8
Chemical Name:
1,1'-Biphenyl, 4-dodecyl-4'-(2-methylbutoxy)-
CAS Number:
114212-59-8
Molecular Formula:
C29H44O
Molecular Weight:
408.6591
IUPAC Name:
1-dodecyl-4-[4-(2-methylbutoxy)phenyl]benzene
InChI:
InChI=1S/C29H44O/c1-4-6-7-8-9-10-11-12-13-14-15-26-16-18-27(19-17-26)28-20-22-29(23-21-28)30-24-25(3)5-2/h16-23,25H,4-15,24H2,1-3H3
InChI Key:
URLCJSXMOPEGAU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)c1ccc(cc1)OCC(CC)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.339g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.67g/mol
Monoisotopic Mass:
408.339g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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