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4-Cyanophenyl 4-(3-Butenyloxy)benzoate, 97%

Catalog Number
ACM114482574-2
CAS Number
114482-57-4
Product Name
4-Cyanophenyl 4-(3-Butenyloxy)benzoate, 97%
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
(4-cyanophenyl) 4-but-3-enoxybenzoate
Molecular Weight
293.3g/mol
Molecular Formula
C18H15NO3
Canonical SMILES
C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H15NO3/c1-2-3-12-21-16-10-6-15(7-11-16)18(20)22-17-8-4-14(13-19)5-9-17/h2,4-11H,1,3,12H2
InChI Key
XGRKLNHEYFRXFW-UHFFFAOYSA-N
Complexity
409
Covalently-Bonded Unit Count
1
Exact Mass
293.105193g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
293.105193g/mol
Rotatable Bond Count
7
XLogP3
4.1
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