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Structure

3'-Cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone

CAS
898756-78-0
Catalog Number
ACM898756780
Category
Other Products
Molecular Weight
301.38891
Molecular Formula
C18H23NO3

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Specification

Synonyms
3-CYANO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE, 898756-78-0, CTK5G4072, AKOS016023638, AG-H-63921, KB-181932
IUPAC Name
3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile
Canonical SMILES
CC1(COC(OC1)CCCCC(=O)C2=CC=CC(=C2)C#N)C
InChI Key
GHYAOWUJSMPQQW-UHFFFAOYSA-N
Boiling Point
435ºC at 760 mmHg
Flash Point
190ºC
Density
1.1g/cm³
Exact Mass
301.16800
H-Bond Acceptor
4
H-Bond Donor
0
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