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100558-59-6 | 1,1'-Biphenyl, 4-ethyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS No: 100558-59-6 Catalog No: AG0002BM MDL No:
Product Description
Catalog Number:
AG0002BM
Chemical Name:
1,1'-Biphenyl, 4-ethyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS Number:
100558-59-6
Molecular Formula:
C25H24
Molecular Weight:
324.4581
IUPAC Name:
1-ethyl-4-[4-[2-(4-propylphenyl)ethynyl]phenyl]benzene
InChI:
InChI=1S/C25H24/c1-3-5-21-6-8-22(9-7-21)10-11-23-14-18-25(19-15-23)24-16-12-20(4-2)13-17-24/h6-9,12-19H,3-5H2,1-2H3
InChI Key:
HPXAXGRZZGTOSR-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)c1ccc(cc1)CC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.467g/mol
Monoisotopic Mass:
324.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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