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4-(trans-4-Propylcyclohexyl)benzoic Acid

Catalog Number
ACM65355295
CAS Number
65355-29-5
Product Name
4-(trans-4-Propylcyclohexyl)benzoic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-(4-propylcyclohexyl)benzoic acid
Molecular Weight
246.34g/mol
Molecular Formula
C16H22O2
Canonical SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H,17,18)
InChI Key
VACLULPMEXHBMD-UHFFFAOYSA-N
Complexity
258
Covalently-Bonded Unit Count
1
EC Number
613-780-8
Exact Mass
246.16198g/mol
Formal Charge
0
Heavy Atom Count
18
Monoisotopic Mass
246.16198g/mol
Rotatable Bond Count
4
XLogP3
5.3
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