Home Nitriles 2-(1,2-oxazol-4-yl)acetonitrile

2-(1,2-oxazol-4-yl)acetonitrile

CAS No.:
893640-97-6
Catalog Number:
AG019WFV
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
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Product Description
Catalog Number:
AG019WFV
Chemical Name:
2-(1,2-oxazol-4-yl)acetonitrile
CAS Number:
893640-97-6
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD08701346
IUPAC Name:
2-(1,2-oxazol-4-yl)acetonitrile
InChI:
InChI=1S/C5H4N2O/c6-2-1-5-3-7-8-4-5/h3-4H,1H2
InChI Key:
ZMJZNHYSDJGFMG-UHFFFAOYSA-N
SMILES:
N#CCc1conc1
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties