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100558-52-9 | 1,1'-Biphenyl, 4-pentyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS No: 100558-52-9 Catalog No: AG0002BP MDL No:
Product Description
Catalog Number:
AG0002BP
Chemical Name:
1,1'-Biphenyl, 4-pentyl-4'-[2-(4-propylphenyl)ethynyl]-
CAS Number:
100558-52-9
Molecular Formula:
C28H30
Molecular Weight:
366.5378
IUPAC Name:
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C28H30/c1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25/h9-12,15-22H,3-8H2,1-2H3
InChI Key:
VAIONPURTFSCHY-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(cc1)C#Cc1ccc(cc1)CCC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.235g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.548g/mol
Monoisotopic Mass:
366.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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