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2040-71-3 | 1,1,2-Ethenetricarbonitrile, 2-[4-(dicyanomethyl)phenyl]-
CAS No: 2040-71-3 Catalog No: AG002998 MDL No:
Product Description
Catalog Number:
AG002998
Chemical Name:
1,1,2-Ethenetricarbonitrile, 2-[4-(dicyanomethyl)phenyl]-
CAS Number:
2040-71-3
Molecular Formula:
C14H5N5
Molecular Weight:
243.2230
IUPAC Name:
2-[4-(dicyanomethyl)phenyl]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C14H5N5/c15-5-12(6-16)10-1-3-11(4-2-10)14(9-19)13(7-17)8-18/h1-4,12H
InChI Key:
ZIYCFZSFBPTCEF-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccc(cc1)C(C#N)C#N)C#N)C#N
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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