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64829-06-7 | 1-Propene-1,1,3,3-tetracarbonitrile, 2-methyl-, compd. with pyridine(1:1)
CAS No: 64829-06-7 Catalog No: AG00H5YM MDL No:
Product Description
Catalog Number:
AG00H5YM
Chemical Name:
1-Propene-1,1,3,3-tetracarbonitrile, 2-methyl-, compd. with pyridine(1:1)
CAS Number:
64829-06-7
Molecular Formula:
C13H9N5
Molecular Weight:
235.2441
IUPAC Name:
2-methylprop-1-ene-1,1,3,3-tetracarbonitrile;pyridine
InChI:
InChI=1S/C8H4N4.C5H5N/c1-6(7(2-9)3-10)8(4-11)5-12;1-2-4-6-5-3-1/h7H,1H3;1-5H
InChI Key:
FLYRLHNGROTIJY-UHFFFAOYSA-N
SMILES:
c1cccnc1.N#CC(C(=C(C#N)C#N)C)C#N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.25g/mol
Monoisotopic Mass:
235.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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