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13706-71-3 | Butanedinitrile, 2,2-dimethyl-
CAS No: 13706-71-3 Catalog No: AG0012SK MDL No:
Product Description
Catalog Number:
AG0012SK
Chemical Name:
Butanedinitrile, 2,2-dimethyl-
CAS Number:
13706-71-3
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
IUPAC Name:
2,2-dimethylbutanedinitrile
InChI:
InChI=1S/C6H8N2/c1-6(2,5-8)3-4-7/h3H2,1-2H3
InChI Key:
XLGGGDFEPZVRLJ-UHFFFAOYSA-N
SMILES:
N#CCC(C#N)(C)C
NSC Number:
91825
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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