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Structure

4-Cyanophenyl 4-n-hexylbenzoate

CAS
50793-85-6
Catalog Number
ACM50793856
Category
Other Products
Molecular Weight
307.39
Molecular Formula
C20H21NO2

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Specification

Synonyms
4-Hexyl-benzoicaci4-cyanophenylester
IUPAC Name
(4-cyanophenyl) 4-hexylbenzoate
Canonical SMILES
CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3
InChI Key
DEUWEGPRKHPNKB-UHFFFAOYSA-N
Boiling Point
464.8ºC at 760 mmHg
Melting Point
43-47 ºC
Flash Point
231.8ºC
Density
1.1 g/cm³
EC Number
256-767-9
Exact Mass
307.15700
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
22-36/37/39
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