Home Nitriles 3-ethyl-5-methyl-1,2-oxazole-4-carbonitrile

3-ethyl-5-methyl-1,2-oxazole-4-carbonitrile

CAS No.:
1461706-44-4
Catalog Number:
AG01A61X
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
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Product Description
Catalog Number:
AG01A61X
Chemical Name:
3-ethyl-5-methyl-1,2-oxazole-4-carbonitrile
CAS Number:
1461706-44-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD25970289
IUPAC Name:
3-ethyl-5-methyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2O/c1-3-7-6(4-8)5(2)10-9-7/h3H2,1-2H3
InChI Key:
ODCUNNPNBDODHN-UHFFFAOYSA-N
SMILES:
CCc1noc(c1C#N)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties