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119812-01-0 | 1,1,2-Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis-
CAS No: 119812-01-0 Catalog No: AG000PPI MDL No:
Product Description
Catalog Number:
AG000PPI
Chemical Name:
1,1,2-Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis-
CAS Number:
119812-01-0
Molecular Formula:
C16H4N6
Molecular Weight:
280.2432
IUPAC Name:
2-[4-(1,2,2-tricyanoethenyl)phenyl]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C16H4N6/c17-5-13(6-18)15(9-21)11-1-2-12(4-3-11)16(10-22)14(7-19)8-20/h1-4H
InChI Key:
STTDGCQKCNKOKT-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)c1ccc(cc1)C(=C(C#N)C#N)C#N
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.25g/mol
Monoisotopic Mass:
280.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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