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4-(trans-4-Butylcyclohexyl)cyclohexanone

Name: 4-(trans-4-Butylcyclohexyl)cyclohexanone
SKU: ACM92413473-1
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Catalog NumberACM92413473-1

CAS Number92413-47-3

CategoryLiquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

IUPAC Name

4-(4-butylcyclohexyl)cyclohexan-1-one

Molecular Weight

236.4

Molecular Formula

C16H28O

Canonical SMILES

CCCCC1CCC(CC1)C2CCC(=O)CC2

InChI

InChI=1S/C16H28O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h13-15H,2-12H2,1H3

InChI Key

LDUYZTOYURUHIX-UHFFFAOYSA-N

Melting Point

44 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Complexity

228

Covalently-Bonded Unit Count

EC Number

618-848-0

Exact Mass

236.214016g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD06797514

Monoisotopic Mass

236.214016g/mol

Rotatable Bond Count

XLogP3

5.3

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