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Structure

4-(1,3-Dioxan-2-ylethyl)benzonitrile

CAS
89013-02-5
Catalog Number
ACM89013025
Category
Other Products
Molecular Weight
217.2637
Molecular Formula
C13H15NO2

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Specification

Synonyms
4-(1,3-DIOXAN-2-YLETHYL)BENZONITRILE
IUPAC Name
4-[2-(1,3-dioxan-2-yl)ethyl]benzonitrile
Canonical SMILES
C1COC(OC1)CCC2=CC=C(C=C2)C#N
InChI Key
VBCDTHUYRQUWCW-UHFFFAOYSA-N
Boiling Point
361.8ºC at 760 mmHg
Flash Point
136.3ºC
Density
1.12g/cm³
Exact Mass
217.11000
H-Bond Acceptor
3
H-Bond Donor
0
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