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Home > Other Heterocycles > 825-24-1
825-24-1 | bicyclo[2.2.1]hepta-2,5-diene-5,6-dicarbonitrile
CAS No: 825-24-1 Catalog No: AG0057NZ MDL No:
Product Description
Catalog Number:
AG0057NZ
Chemical Name:
bicyclo[2.2.1]hepta-2,5-diene-5,6-dicarbonitrile
CAS Number:
825-24-1
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
IUPAC Name:
bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
InChI:
InChI=1S/C9H6N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-7H,3H2
InChI Key:
XKDBHCJBKRLHRJ-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C2CC1C=C2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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