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4-(4-Heptylphenyl)benzoic Acid

Catalog Number
ACM58573947-1
CAS Number
58573-94-7
Product Name
4-(4-Heptylphenyl)benzoic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-(4-heptylphenyl)benzoic acid
Molecular Weight
296.4g/mol
Molecular Formula
C20H24O2
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
InChI Key
XVROSBHWACAQRL-UHFFFAOYSA-N
Complexity
310
Covalently-Bonded Unit Count
1
Exact Mass
296.17763g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
296.17763g/mol
Rotatable Bond Count
8
XLogP3
7.2
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