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4-Butylphenylacetylene

Catalog Number
ACM79887095-1
Product Name
4-Butylphenylacetylene
Structure
CAS
79887-09-5
Category
Liquid Crystal (LC) Materials
IUPAC Name
1-butyl-4-ethynylbenzene
Molecular Weight
158.24g/mol
Molecular Formula
C12H14
Canonical SMILES
CCCCC1=CC=C(C=C1)C#C
InChI
InChI=1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3
InChI Key
ZVWWYEHVIRMJIE-UHFFFAOYSA-N
Complexity
152
Covalently-Bonded Unit Count
1
Exact Mass
158.10955g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
158.10955g/mol
Rotatable Bond Count
4
XLogP3
4
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