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Home > Other Heterocycles > 85695-86-9
85695-86-9 | Propanedinitrile, bicyclo[2.2.2]oct-5-en-2-ylidene-
CAS No: 85695-86-9 Catalog No: AG004T4N MDL No:
Product Description
Catalog Number:
AG004T4N
Chemical Name:
Propanedinitrile, bicyclo[2.2.2]oct-5-en-2-ylidene-
CAS Number:
85695-86-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(2-bicyclo[2.2.2]oct-5-enylidene)propanedinitrile
InChI:
InChI=1S/C11H10N2/c12-6-10(7-13)11-5-8-1-3-9(11)4-2-8/h1,3,8-9H,2,4-5H2
InChI Key:
AIRSHCVVMCOYLJ-UHFFFAOYSA-N
SMILES:
N#CC(=C1CC2CCC1C=C2)C#N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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