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Home > Other Heterocycles > 93086-95-4
93086-95-4 | spiro(2.6)nonane-1,1,2,2-tetracarbonitrile
CAS No: 93086-95-4 Catalog No: AG006J3C MDL No:
Product Description
Catalog Number:
AG006J3C
Chemical Name:
spiro(2.6)nonane-1,1,2,2-tetracarbonitrile
CAS Number:
93086-95-4
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
spiro[2.6]nonane-1,1,2,2-tetracarbonitrile
InChI:
InChI=1S/C13H12N4/c14-7-12(8-15)11(13(12,9-16)10-17)5-3-1-2-4-6-11/h1-6H2
InChI Key:
OPWBKDAEAXHDSR-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C21CCCCCC2)(C#N)C#N
UNII:
4LTV4EUB33
NSC Number:
98481
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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