Home Nitriles 1,2,4-oxadiazole-3-carbonitrile

1,2,4-oxadiazole-3-carbonitrile

CAS No.:
39512-75-9
Catalog Number:
AG01BB3J
Molecular Formula:
C3HN3O
Molecular Weight:
95.0595
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Product Description
Catalog Number:
AG01BB3J
Chemical Name:
1,2,4-oxadiazole-3-carbonitrile
CAS Number:
39512-75-9
Molecular Formula:
C3HN3O
Molecular Weight:
95.0595
MDL Number:
MFCD26938432
IUPAC Name:
1,2,4-oxadiazole-3-carbonitrile
InChI:
InChI=1S/C3HN3O/c4-1-3-5-2-7-6-3/h2H
InChI Key:
SMAXOZPUQHHUCJ-UHFFFAOYSA-N
SMILES:
N#Cc1nocn1
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.012g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.061g/mol
Monoisotopic Mass:
95.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties