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4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile

4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile structure

CAS No:
1111110-50-9
Formula:
C12H8N2O
Chemical Name:
4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile
Synonyms:
Benzonitrile,4-(1,6-dihydro-6-oxo-2-pyridinyl)-;4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile

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4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile Basic Attributes

Molecular Weight：

196.20472

Exact Mass：

196.20

DSSTox ID：

DTXSID90682551

HScode：

2933399090

Characteristics

PSA：

52.9

XLogP3：

2.32588

Density：

1.26±0.1 g/cm3(Predicted)

Boiling Point：

494.9±45.0 °C(Predicted)

Storage Conditions：

Room temperature.

Computed Properties

Molecular Weight:196.20
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.063662883
Monoisotopic Mass:196.063662883
Topological Polar Surface Area:52.9
Heavy Atom Count:15
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

4-(1,6-Dihydro-6-oxo-2-pyridinyl)benzonitrile

SDS

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