Home Nitriles 2,3-dimethylbutanenitrile

2,3-dimethylbutanenitrile

CAS No.:
20654-44-8
Catalog Number:
AG01AFGM
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
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Product Description
Catalog Number:
AG01AFGM
Chemical Name:
2,3-dimethylbutanenitrile
CAS Number:
20654-44-8
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD03424265
IUPAC Name:
2,3-dimethylbutanenitrile
InChI:
InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3
InChI Key:
ZMRCOHMOBLASFC-UHFFFAOYSA-N
SMILES:
CC(C(C)C)C#N
Properties
Complexity:
85.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties