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4-Ethynyl-4'-pentyl-1,1'-biphenyl

Catalog Number
ACM80563435
CAS Number
80563-43-5
Product Name
4-Ethynyl-4'-pentyl-1,1'-biphenyl
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
1-ethynyl-4-(4-pentylphenyl)benzene
Molecular Weight
248.4g/mol
Molecular Formula
C19H20
Canonical SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C
InChI
InChI=1S/C19H20/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h2,8-15H,3,5-7H2,1H3
InChI Key
SVHXPGWTCYKGGU-UHFFFAOYSA-N
Complexity
278
Covalently-Bonded Unit Count
1
Exact Mass
248.156501g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
248.156501g/mol
Rotatable Bond Count
6
XLogP3
6.2
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