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Structure

3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile

CAS
27339-25-9
Catalog Number
ACM27339259
Category
Other Products
Molecular Weight
275.342840 [g/mol]
Molecular Formula
C16H21NO3

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Specification

Synonyms
EINECS 248-416-3, CID3015370, 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile, 27339-25-9
IUPAC Name
2-(3,4-dimethoxyphenyl)-5-oxo-2-propan-2-ylpentanenitrile
Canonical SMILES
CC(C)C(CCC=O)(C#N)C1=CC(=C(C=C1)OC)OC
InChI Key
WANYSCJGLCSVDW-UHFFFAOYSA-N
Boiling Point
413.8ºC at 760mmHg
Flash Point
180.9ºC
Density
1.054g/cm³
EC Number
248-416-3
Exact Mass
275.15200
H-Bond Acceptor
4
H-Bond Donor
0
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