Home Nitriles 2-(1,2,4-oxadiazol-3-yl)acetonitrile

2-(1,2,4-oxadiazol-3-yl)acetonitrile

CAS No.:
809534-07-4
Catalog Number:
AG019K5V
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
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Product Description
Catalog Number:
AG019K5V
Chemical Name:
2-(1,2,4-oxadiazol-3-yl)acetonitrile
CAS Number:
809534-07-4
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
MDL Number:
MFCD08729203
IUPAC Name:
2-(1,2,4-oxadiazol-3-yl)acetonitrile
InChI:
InChI=1S/C4H3N3O/c5-2-1-4-6-3-8-7-4/h3H,1H2
InChI Key:
GKNUEJIJYDLYFD-UHFFFAOYSA-N
SMILES:
N#CCc1nocn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.028g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.088g/mol
Monoisotopic Mass:
109.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties