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128746-15-6 | Benzene, 1-[[4-(2-butynyloxy)phenyl]ethynyl]-4-propyl- (9CI)
CAS No: 128746-15-6 Catalog No: AG000YD6 MDL No:
Product Description
Catalog Number:
AG000YD6
Chemical Name:
Benzene, 1-[[4-(2-butynyloxy)phenyl]ethynyl]-4-propyl- (9CI)
CAS Number:
128746-15-6
Molecular Formula:
C21H20O
Molecular Weight:
288.3829
IUPAC Name:
1-but-2-ynoxy-4-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C21H20O/c1-3-5-17-22-21-15-13-20(14-16-21)12-11-19-9-7-18(6-4-2)8-10-19/h7-10,13-16H,4,6,17H2,1-2H3
InChI Key:
CGPXTAHYXBMSNL-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)OCC#CC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.39g/mol
Monoisotopic Mass:
288.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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