Home Nitriles 1-methylcyclobutanecarbonitrile

1-methylcyclobutanecarbonitrile

CAS No.:
49826-21-3
Catalog Number:
AG01BTS2
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
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Product Description
Catalog Number:
AG01BTS2
Chemical Name:
1-methylcyclobutanecarbonitrile
CAS Number:
49826-21-3
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD17215681
IUPAC Name:
1-methylcyclobutane-1-carbonitrile
InChI:
InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3
InChI Key:
MTOOTCYFFLHCRY-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCC1
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties