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35684-12-9 | 1-Butyl-4-((4-methoxyphenyl)ethynyl)benzene
CAS No: 35684-12-9 Catalog No: AG003D0P MDL No:
Product Description
Catalog Number:
AG003D0P
Chemical Name:
1-Butyl-4-((4-methoxyphenyl)ethynyl)benzene
CAS Number:
35684-12-9
Molecular Formula:
C19H20O
Molecular Weight:
264.3615
IUPAC Name:
1-butyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
InChI:
InChI=1S/C19H20O/c1-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20-2)15-13-18/h6-9,12-15H,3-5H2,1-2H3
InChI Key:
QTVHHOAFERRCDG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C#Cc1ccc(cc1)OC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.151g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.368g/mol
Monoisotopic Mass:
264.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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