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ISOXAZOL-5-YLACETONITRILE

ISOXAZOL-5-YLACETONITRILE structure

CAS No:
854137-77-2
Formula:
C5H4N2O
Chemical Name:
ISOXAZOL-5-YLACETONITRILE
Synonyms:
ISOXAZOL-5-YLACETONITRILE;5-Isoxazoleacetonitrile;Isoxazole-5-acetonitrile

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ISOXAZOL-5-YLACETONITRILE Basic Attributes

Molecular Weight：

108.1

Exact Mass：

108.032362755

DSSTox ID：

DTXSID50407121

Characteristics

Density：

1.179±0.06 g/cm3

Boiling Point：

256.1±15.0 °C(Predicted)

PKA：

-2.83±0.50

ISOXAZOL-5-YLACETONITRILE Use and Manufacturing

An acetonitrile substituted azole derivative.

Computed Properties

Molecular Weight:108.10
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.032362755
Monoisotopic Mass:108.032362755
Topological Polar Surface Area:49.8
Heavy Atom Count:8
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ISOXAZOL-5-YLACETONITRILE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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