Home Nitriles Butanenitrile, 3-methyl-2-methylene-

Butanenitrile, 3-methyl-2-methylene-

CAS No.:
2813-69-6
Catalog Number:
AG007L8U
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
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Product Description
Catalog Number:
AG007L8U
Chemical Name:
Butanenitrile, 3-methyl-2-methylene-
CAS Number:
2813-69-6
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD31664974
IUPAC Name:
3-methyl-2-methylidenebutanenitrile
InChI:
InChI=1S/C6H9N/c1-5(2)6(3)4-7/h5H,3H2,1-2H3
InChI Key:
CCMZKOAOMQSOQA-UHFFFAOYSA-N
SMILES:
CC(C(=C)C#N)C
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.145g/mol
Monoisotopic Mass:
95.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties