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4-Methyl-β-oxo-1-piperidinepropanenitrile

4-Methyl-β-oxo-1-piperidinepropanenitrile structure

CAS No:
79005-55-3
Formula:
C9H14N2O
Chemical Name:
4-Methyl-β-oxo-1-piperidinepropanenitrile
Synonyms:
1-Piperidinepropanenitrile,4-methyl-β-oxo-;Piperidine,1-(cyanoacetyl)-4-methyl-;4-Methyl-β-oxo-1-piperidinepropanenitrile;NSC 176406

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4-Methyl-β-oxo-1-piperidinepropanenitrile Basic Attributes

Molecular Weight：

166.22 g/mol

Exact Mass：

166.22

NSC Number：

176406

DSSTox ID：

DTXSID50306448

Characteristics

PSA：

44.1 Å²

Water Solubility：

>24.9 [ug/mL]

Computed Properties

Molecular Weight:166.22
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:166.110613074
Monoisotopic Mass:166.110613074
Topological Polar Surface Area:44.1
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methyl-β-oxo-1-piperidinepropanenitrile

Basic Attributes
Characteristics
Computed Properties

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