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117392-63-9 | Benzene, 1-butyl-4-[2-(4-ethylphenyl)ethynyl]-
CAS No: 117392-63-9 Catalog No: AG000E7N MDL No:
Product Description
Catalog Number:
AG000E7N
Chemical Name:
Benzene, 1-butyl-4-[2-(4-ethylphenyl)ethynyl]-
CAS Number:
117392-63-9
Molecular Formula:
C20H22
Molecular Weight:
262.3887
IUPAC Name:
1-butyl-4-[2-(4-ethylphenyl)ethynyl]benzene
InChI:
InChI=1S/C20H22/c1-3-5-6-18-11-13-20(14-12-18)16-15-19-9-7-17(4-2)8-10-19/h7-14H,3-6H2,1-2H3
InChI Key:
FEWCQIVPFKPBDH-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C#Cc1ccc(cc1)CC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.172g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.396g/mol
Monoisotopic Mass:
262.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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