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4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile

4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile structure

CAS No:
39528-62-6
Formula:
C13H15NO
Chemical Name:
4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,4-(1,1-dimethylethyl)-β-oxo-;4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile;(p-tert-Butylbenzoyl)acetonitrile;3-(4-tert-Butylphenyl)-3-oxopropanenitrile;4-tert-Butylbenzoylacetonitrile

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4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

201.26 g/mol

Exact Mass：

201.26

DSSTox ID：

DTXSID30366222

Characteristics

PSA：

40.9 Å²

Computed Properties

Molecular Weight:201.26
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:201.115364102
Monoisotopic Mass:201.115364102
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,1-Dimethylethyl)-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Computed Properties

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