CAS 79887-10-8 4-Pentylphenylacetylene - Materials / Alfa Chemistry

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4-Pentylphenylacetylene

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Catalog Number

ACM79887108-1

Product Name

4-Pentylphenylacetylene

Structure

CAS

79887-10-8

Category

Liquid Crystal (LC) Materials

IUPAC Name

1-ethynyl-4-pentylbenzene

Molecular Weight

172.27g/mol

Molecular Formula

C13H16

Canonical SMILES

CCCCCC1=CC=C(C=C1)C#C

InChI

InChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3

InChI Key

APGNXGIUUTWIRE-UHFFFAOYSA-N

Complexity

164

Covalently-Bonded Unit Count

Exact Mass

172.125201g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

172.125201g/mol

Rotatable Bond Count

XLogP3

4.6

MSDS

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COA

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Spec Sheet

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