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4-n-Octyloxyphenyl 4-Pentylbenzoate

Catalog Number
ACM50649644-1
Product Name
4-n-Octyloxyphenyl 4-Pentylbenzoate
Structure
CAS
50649-64-4
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-Amylbenzoic Acid 4-n-Octyloxyphenyl Ester
IUPAC Name
(4-octoxyphenyl) 4-pentylbenzoate
Molecular Weight
396.56
Molecular Formula
C26H36O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC
InChI
InChI=1S/C26H36O3/c1-3-5-7-8-9-11-21-28-24-17-19-25(20-18-24)29-26(27)23-15-13-22(14-16-23)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3
InChIKey
ITWWXCLUKGZJRY-UHFFFAOYSA-N
Purity
99%+
Solubility
slightly soluble in Methanol
Appearance
White to Light yellow to Light orange powder to crystal
Storage
Room temperature.
Status
0
Complexity
406
Formal Charge
0
Exact Mass
396.266445g/mol
Monoisotopic Mass
396.266445g/mol
XLogP3
9.1
Covalently-Bonded Unit Count
1
Heavy Atom Count
29
Rotatable Bond Count
15
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