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113963-16-9 | 1,1'-Biphenyl, 4-(dodecyloxy)-4'-[(5-methylheptyl)oxy]-
CAS No: 113963-16-9 Catalog No: AG000A5Q MDL No:
Product Description
Catalog Number:
AG000A5Q
Chemical Name:
1,1'-Biphenyl, 4-(dodecyloxy)-4'-[(5-methylheptyl)oxy]-
CAS Number:
113963-16-9
Molecular Formula:
C32H50O2
Molecular Weight:
466.7382
IUPAC Name:
1-dodecoxy-4-[4-(5-methylheptoxy)phenyl]benzene
InChI:
InChI=1S/C32H50O2/c1-4-6-7-8-9-10-11-12-13-15-26-33-31-22-18-29(19-23-31)30-20-24-32(25-21-30)34-27-16-14-17-28(3)5-2/h18-25,28H,4-17,26-27H2,1-3H3
InChI Key:
BZKIXNAAABAXNU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)OCCCCC(CC)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.381g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.75g/mol
Monoisotopic Mass:
466.381g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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