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CAS Number: 58035-53-3
2-(isoxazolo[5,4-b]pyridin-3-yl)acetonitrile

Structure

 2-(isoxazolo[5,4-b]pyridin-3-yl)acetonitrile
Name: 2-(isoxazolo[5,4-b]pyridin-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 58035533

CAS Registry Number 58035-53-3
Name:
Isoxazolo[5,?4-?b]?pyridine-?3-?acetonitrile

 

Chemical Formula: C8H5N3O
Exact Mass: 159.04
Molecular Weight: 159.14
m/z: 159.04 (100.0%), 160.05 (8.7%), 160.04 (1.1%)
Elemental Analysis: C, 60.38; H, 3.17; N, 26.40; O, 10.05

 

InChI:InChI=1S/C8H5N3O/c9-4-3-7-6-2-1-5-10-8(6)12-11-7/h1-2,5H,3H2

InChI Key:OJQNMAQTNPGWGG-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(N=C1)ON=C2CC#N

 

Thermal Properties Value Condition Note
Melting Point 128-130 °C Solv: benzene (71-43-2) (1)IC

Specification

98%
References

(1) Abignente, E.; Farmaco, Edizione Scientifica 1975, V30(12), P992-1000 CAPLUS
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