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Home > Other Heterocycles > 102606-35-9
102606-35-9 | Bicyclo[3.2.2]nona-6,8-diene-6,7-dicarbonitrile
CAS No: 102606-35-9 Catalog No: AG0007WO MDL No:
Product Description
Catalog Number:
AG0007WO
Chemical Name:
Bicyclo[3.2.2]nona-6,8-diene-6,7-dicarbonitrile
CAS Number:
102606-35-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
bicyclo[3.2.2]nona-6,8-diene-6,7-dicarbonitrile
InChI:
InChI=1S/C11H10N2/c12-6-10-8-2-1-3-9(5-4-8)11(10)7-13/h4-5,8-9H,1-3H2
InChI Key:
NDHOSZAFUBJTMI-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C2C=CC1CCC2
Properties
Complexity:
347
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:
2
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