CAS 3575-31-3 4-Octylbenzoic acid - Materials / Alfa Chemistry

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4-Octylbenzoic acid

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Catalog Number

ACM3575313-1

CAS Number

3575-31-3

Product Name

4-Octylbenzoic acid

Structure

Category

Liquid Crystal (LC) Materials

IUPAC Name

4-octylbenzoic acid

Molecular Weight

234.33g/mol

Molecular Formula

C15H22O2

Canonical SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)

InChI Key

ZQLDNJKHLQOJGE-UHFFFAOYSA-N

Complexity

205

Covalently-Bonded Unit Count

EC Number

222-692-5

Exact Mass

234.16198g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

234.16198g/mol

NSC Number

173066

Rotatable Bond Count

UNII

PWH5I1J38K

XLogP3

6.1

MSDS

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COA

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Spec Sheet

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