Home Nitriles 4-methoxy-3-methylbutanenitrile

4-methoxy-3-methylbutanenitrile

CAS No.:
21589-41-3
Catalog Number:
AG01C58R
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
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Product Description
Catalog Number:
AG01C58R
Chemical Name:
4-methoxy-3-methylbutanenitrile
CAS Number:
21589-41-3
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD29763337
IUPAC Name:
4-methoxy-3-methylbutanenitrile
InChI:
InChI=1S/C6H11NO/c1-6(3-4-7)5-8-2/h6H,3,5H2,1-2H3
InChI Key:
VRBJWDHAZDMZEG-UHFFFAOYSA-N
SMILES:
COCC(CC#N)C
Properties
Complexity:
91.9  
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:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties