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4-Pentylphenylacetylene

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
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
InChIKey
APGNXGIUUTWIRE-UHFFFAOYSA-N
Status
0
Complexity
164
Formal Charge
0
Exact Mass
172.125201g/mol
Monoisotopic Mass
172.125201g/mol
XLogP3
4.6
Covalently-Bonded Unit Count
1
Heavy Atom Count
13
Rotatable Bond Count
5
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