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26530-58-5 | [1,1'-Bicyclopropyl]-2,2,3,3-tetracarbonitrile, 1-methyl-
CAS No: 26530-58-5 Catalog No: AG002TKY MDL No:
Product Description
Catalog Number:
AG002TKY
Chemical Name:
[1,1'-Bicyclopropyl]-2,2,3,3-tetracarbonitrile, 1-methyl-
CAS Number:
26530-58-5
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
3-cyclopropyl-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
InChI:
InChI=1S/C11H8N4/c1-9(8-2-3-8)10(4-12,5-13)11(9,6-14)7-15/h8H,2-3H2,1H3
InChI Key:
ABMKIAACQGXLOD-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C1(C)C1CC1)(C#N)C#N
NSC Number:
98455
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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