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4-Ethyl-4'-ethynylbiphenyl

Catalog Number
ACM477587896
CAS Number
477587-89-6
Product Name
4-Ethyl-4'-ethynylbiphenyl
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI);4-Ethyl-4'-ethynyl-1,1'-biphenyl;4-Ethyl-4'-ethynylbiphenyl
IUPAC Name
1-ethyl-4-(4-ethynylphenyl)benzene
Molecular Weight
206.28g/mol
Molecular Formula
C16H14
Canonical SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C
InChI
InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3
InChI Key
LMCBMOAZJXJAIV-UHFFFAOYSA-N
Density
1.03
Complexity
241
Covalently-Bonded Unit Count
1
Exact Mass
206.10955g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
206.10955g/mol
Rotatable Bond Count
3
XLogP3
4.6
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