CAS 39969-28-3 1-(4-Methoxyphenyl)ethynyl-4-N-pentylbenzene

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

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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

Exact Mass

278.167065g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

278.167065g/mol

Rotatable Bond Count

XLogP3

6.3

MSDS

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COA

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Spec Sheet

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