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3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile

3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile structure

CAS No:
36622-33-0
Formula:
C14H19NO3
Chemical Name:
3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3,4,5-trimethoxy-α-(1-methylethyl)-;3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile;α-Isopropyl-3,4,5-trimethoxybenzyl cyanide;α-Isopropyl-3,4,5-trimethoxyphenylacetonitrile;3,4,5-Trimethoxy-α-(1-methylethyl)phenylacetonitrile;2-(3,4,5-Trimethoxyphenyl)-3-methylbutyronitrile;3-Methyl-2-(3,4,5-trimethoxyphenyl)butanenitrile;38176-05-5

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3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile Basic Attributes

Molecular Weight：

249.30600

Exact Mass：

249.31

EC Number：

253-134-9

HScode：

2926909090

Characteristics

PSA：

51.48000

XLogP3：

2.97558

Density：

1.046g/cm3

Boiling Point：

170-173 °C @ Press: 8 Torr

Flash Point：

136.9ºC

Refractive Index：

1.496

Computed Properties

Molecular Weight:249.30
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:249.13649347
Monoisotopic Mass:249.13649347
Topological Polar Surface Area:51.5
Heavy Atom Count:18
Complexity:283
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile

Basic Attributes
Characteristics
Computed Properties

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