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114486-25-8 | Benzene, 1-(2-butenyloxy)-4-[(4-butylphenyl)ethynyl]- (9CI)
CAS No: 114486-25-8 Catalog No: AG000EJT MDL No:
Product Description
Catalog Number:
AG000EJT
Chemical Name:
Benzene, 1-(2-butenyloxy)-4-[(4-butylphenyl)ethynyl]- (9CI)
CAS Number:
114486-25-8
Molecular Formula:
C22H24O
Molecular Weight:
304.4254
IUPAC Name:
1-but-2-enoxy-4-[2-(4-butylphenyl)ethynyl]benzene
InChI:
InChI=1S/C22H24O/c1-3-5-7-19-8-10-20(11-9-19)12-13-21-14-16-22(17-15-21)23-18-6-4-2/h4,6,8-11,14-17H,3,5,7,18H2,1-2H3
InChI Key:
BKFNNFVERRTARI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C#Cc1ccc(cc1)OCC=CC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.183g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.433g/mol
Monoisotopic Mass:
304.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.7
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