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1-Ethynyl-4-hexylbenzene

Catalog Number
ACM79887119-1
CAS Number
79887-11-9
Product Name
1-Ethynyl-4-hexylbenzene
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4-Hexyl-1-ethynylbenzene
IUPAC Name
1-ethynyl-4-hexylbenzene
Molecular Weight
186.3
Molecular Formula
C14H18
Canonical SMILES
CCCCCCC1=CC=C(C=C1)C#C
InChI
InChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h2,9-12H,3,5-8H2,1H3
InChI Key
NFPDFDTYANKKIU-UHFFFAOYSA-N
Purity
>95.0%(GC)
Appearance
Colorless to Red to Green clear liquid
Complexity
176
Covalently-Bonded Unit Count
1
Exact Mass
186.140851g/mol
Formal Charge
0
Heavy Atom Count
14
MDL Number
MFCD00173883
Monoisotopic Mass
186.140851g/mol
Refractive Index
1.52
Rotatable Bond Count
6
Specific Gravity
0.89
XLogP3
5.8
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