CAS 87321-20-8 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester

NAVIGATION

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

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Catalog Number

ACM87321208-1

CAS Number

87321-20-8

Product Name

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

Structure

Category

Liquid Crystal (LC) Materials

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

Exact Mass

454.271924g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

454.271924g/mol

Rotatable Bond Count

XLogP3

8.8

MSDS

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COA

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Spec Sheet

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