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Home > Other Heterocycles > 7149-13-5
7149-13-5 | bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
CAS No: 7149-13-5 Catalog No: AG005TN5 MDL No:
Product Description
Catalog Number:
AG005TN5
Chemical Name:
bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
CAS Number:
7149-13-5
Molecular Formula:
C13H7N5
Molecular Weight:
233.2282
IUPAC Name:
bicyclo[2.2.2]oct-5-ene-2,2,3,3,5-pentacarbonitrile
InChI:
InChI=1S/C13H7N5/c14-4-9-3-10-1-2-11(9)13(7-17,8-18)12(10,5-15)6-16/h3,10-11H,1-2H2
InChI Key:
DZBBCDCSMLPFOW-UHFFFAOYSA-N
SMILES:
N#CC1=CC2CCC1C(C2(C#N)C#N)(C#N)C#N
NSC Number:
52587
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.234g/mol
Monoisotopic Mass:
233.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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