Home Nitriles 2-(tert-butoxy)acetonitrile

2-(tert-butoxy)acetonitrile

CAS No.:
59463-51-3
Catalog Number:
AG019YPF
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
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Product Description
Catalog Number:
AG019YPF
Chemical Name:
2-(tert-butoxy)acetonitrile
CAS Number:
59463-51-3
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD11196945
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]acetonitrile
InChI:
InChI=1S/C6H11NO/c1-6(2,3)8-5-4-7/h5H2,1-3H3
InChI Key:
OQZSWZJDAMTZRM-UHFFFAOYSA-N
SMILES:
N#CCOC(C)(C)C
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties