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4-N-Hexylbiphenyl-4'-carboxylic acid

Catalog Number
ACM59662485
CAS Number
59662-48-5
Product Name
4-N-Hexylbiphenyl-4'-carboxylic acid
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-(4-hexylphenyl)benzoic acid
Molecular Weight
282.4g/mol
Molecular Formula
C19H22O2
Canonical SMILES
CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)
InChI Key
ROJCBWVSXWIGAL-UHFFFAOYSA-N
Purity
97.0%(HPLC)
Complexity
297
Covalently-Bonded Unit Count
1
Exact Mass
282.16198g/mol
Formal Charge
0
Heavy Atom Count
21
Monoisotopic Mass
282.16198g/mol
Rotatable Bond Count
7
XLogP3
6.7
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