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4-n-Octyloxyphenyl 4-Butylbenzoate, 98%

Catalog Number
ACM42815598-2
CAS Number
42815-59-8
Product Name
4-n-Octyloxyphenyl 4-Butylbenzoate, 98%
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
(4-octoxyphenyl) 4-butylbenzoate
Molecular Weight
382.5g/mol
Molecular Formula
C25H34O3
Canonical SMILES
CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
InChI
InChI=1S/C25H34O3/c1-3-5-7-8-9-10-20-27-23-16-18-24(19-17-23)28-25(26)22-14-12-21(13-15-22)11-6-4-2/h12-19H,3-11,20H2,1-2H3
InChI Key
DESAJRHSCPKXHK-UHFFFAOYSA-N
Complexity
393
Covalently-Bonded Unit Count
1
Exact Mass
382.250795g/mol
Formal Charge
0
Heavy Atom Count
28
Monoisotopic Mass
382.250795g/mol
Rotatable Bond Count
14
XLogP3
8.6
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