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Home > Other Heterocycles > 19004-90-1
19004-90-1 | Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile, 5,6,7,8-tetramethyl-
CAS No: 19004-90-1 Catalog No: AG002E9L MDL No:
Product Description
Catalog Number:
AG002E9L
Chemical Name:
Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile, 5,6,7,8-tetramethyl-
CAS Number:
19004-90-1
Molecular Formula:
C14H14N2
Molecular Weight:
210.2744
IUPAC Name:
5,6,7,8-tetramethylbicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
InChI:
InChI=1S/C14H14N2/c1-7-8(2)14-10(4)9(3)13(7)11(5-15)12(14)6-16/h13-14H,1-4H3
InChI Key:
HAJWOXBUTSZXQZ-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C2C(=C(C1C(=C2C)C)C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.28g/mol
Monoisotopic Mass:
210.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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