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117923-35-0 | 1-Hexyl-4-[(4-methylphenyl)ethynyl]benzene
CAS No: 117923-35-0 Catalog No: AG003EE1 MDL No:
Product Description
Catalog Number:
AG003EE1
Chemical Name:
1-Hexyl-4-[(4-methylphenyl)ethynyl]benzene
CAS Number:
117923-35-0
IUPAC Name:
1-hexyl-4-[2-(4-methylphenyl)ethynyl]benzene
InChI:
InChI=1S/C21H24/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-16-20-10-8-18(2)9-11-20/h8-15H,3-7H2,1-2H3
InChI Key:
XYAMCKXIFIIWHA-UHFFFAOYSA-N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.423g/mol
Monoisotopic Mass:
276.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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