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Structure

3,4,5-Trimethoxybenzoylacetonitrile

CAS
50606-35-4
Catalog Number
ACM50606354
Category
Other Products
Molecular Weight
235.24
Molecular Formula
C12H13NO4

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Specification

Synonyms
3,4,5-TRIMETHOXYBENZOYLACETONITRILE
IUPAC Name
3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC#N
InChI Key
GFEMIDXDJDTTKQ-UHFFFAOYSA-N
Boiling Point
397.1ºC at 760 mmHg
Flash Point
173.7ºC
Density
1.159g/cm³
Exact Mass
235.08400
H-Bond Acceptor
5
H-Bond Donor
0
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