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

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

CAS No.:
66376-13-4
Catalog Number:
AG01AIC0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
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Product Description
Catalog Number:
AG01AIC0
Chemical Name:
3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
CAS Number:
66376-13-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD18838993
IUPAC Name:
3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C6H8N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-3H2,1H3
InChI Key:
OQPITXAMDVBSMP-UHFFFAOYSA-N
SMILES:
CCC1=NOC(C1)C#N
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties