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1-(4-Methoxyphenyl)ethynyl-4-N-pentylbenzene

Catalog Number
ACM39969283
CAS Number
39969-28-3
Product Name
1-(4-Methoxyphenyl)ethynyl-4-N-pentylbenzene
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
1-(4-Methoxyphenyl)ethynyl-4-n-pentylbenzene;1-(4-Methoxyphenyl)-2-(4-n-pentylphenyl)acetylene;1-(4-Methoxyphenyl)-2-(4-n-propylphenyl)acetylene
IUPAC Name
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
Molecular Weight
278.4g/mol
Molecular Formula
C20H22O
Canonical SMILES
CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H22O/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21-2)16-14-19/h7-10,13-16H,3-6H2,1-2H3
InChI Key
ULPSMBQBIIZGAI-UHFFFAOYSA-N
Purity
98%
Density
1.03 g/cm³
Complexity
331
Covalently-Bonded Unit Count
1
Exact Mass
278.167065g/mol
Formal Charge
0
Heavy Atom Count
21
Monoisotopic Mass
278.167065g/mol
Rotatable Bond Count
7
XLogP3
6.3
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