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4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester

Catalog NumberACM87321208-1

CAS Number87321-20-8

CategoryLiquid Crystal (LC) Materials

4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
IUPAC Name
[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
Molecular Weight
454.6g/mol
Molecular Formula
C28H38O5
Canonical SMILES
CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
InChI Key
PLGPDUBTEHIWRH-QFIPXVFZSA-N
Complexity
532
Covalently-Bonded Unit Count
1
Exact Mass
454.271924g/mol
Formal Charge
0
Heavy Atom Count
33
Monoisotopic Mass
454.271924g/mol
Rotatable Bond Count
17
XLogP3
8.8
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