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100558-56-3 | 1,1'-Biphenyl, 4-propyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS No: 100558-56-3 Catalog No: AG0002BO MDL No:
Product Description
Catalog Number:
AG0002BO
Chemical Name:
1,1'-Biphenyl, 4-propyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS Number:
100558-56-3
Molecular Formula:
C26H26
Molecular Weight:
338.4846
IUPAC Name:
1-propyl-4-[4-[2-(4-propylphenyl)ethynyl]phenyl]benzene
InChI:
InChI=1S/C26H26/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h7-10,13-20H,3-6H2,1-2H3
InChI Key:
WWMOZYYOHRGETC-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)c1ccc(cc1)CCC
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.203g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.494g/mol
Monoisotopic Mass:
338.203g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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