Home Nitriles 2,2-dimethyl-3-(oxiran-2-yl)propanenitrile

2,2-dimethyl-3-(oxiran-2-yl)propanenitrile

CAS No.:
1799542-40-7
Catalog Number:
AG01B79V
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01B79V
Chemical Name:
2,2-dimethyl-3-(oxiran-2-yl)propanenitrile
CAS Number:
1799542-40-7
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD30345209
IUPAC Name:
2,2-dimethyl-3-(oxiran-2-yl)propanenitrile
InChI:
InChI=1S/C7H11NO/c1-7(2,5-8)3-6-4-9-6/h6H,3-4H2,1-2H3
InChI Key:
OJIIVCJYDVIJJI-UHFFFAOYSA-N
SMILES:
N#CC(CC1OC1)(C)C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties