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3-Methyl-β-oxo-2-pyridinepropanenitrile

3-Methyl-β-oxo-2-pyridinepropanenitrile structure

CAS No:
59718-85-3
Formula:
C9H8N2O
Chemical Name:
3-Methyl-β-oxo-2-pyridinepropanenitrile
Synonyms:
2-Pyridinepropanenitrile,3-methyl-β-oxo-;3-Methyl-β-oxo-2-pyridinepropanenitrile

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3-Methyl-β-oxo-2-pyridinepropanenitrile Basic Attributes

Molecular Weight：

160.17300

Exact Mass：

160.17

DSSTox ID：

DTXSID90483065

HScode：

2933399090

Characteristics

PSA：

53.75000

XLogP3：

1.48638

Density：

1.141g/cm3

Melting Point：

93-95 °C @ Solvent: Benzene

Boiling Point：

328.021ºC at 760 mmHg

Flash Point：

152.182ºC

Refractive Index：

1.536

Computed Properties

Molecular Weight:160.17
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:53.8
Heavy Atom Count:12
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-β-oxo-2-pyridinepropanenitrile

Basic Attributes
Characteristics
Computed Properties

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