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778583-98-5 | Propanedinitrile, [6-(2-imidazolidinylidene)-2(6H)-naphthalenylidene]-
CAS No: 778583-98-5 Catalog No: AG005R9X MDL No:
Product Description
Catalog Number:
AG005R9X
Chemical Name:
Propanedinitrile, [6-(2-imidazolidinylidene)-2(6H)-naphthalenylidene]-
CAS Number:
778583-98-5
Molecular Formula:
C16H12N4
Molecular Weight:
260.2933
IUPAC Name:
2-(6-imidazolidin-2-ylidenenaphthalen-2-ylidene)propanedinitrile
InChI:
InChI=1S/C16H12N4/c17-9-15(10-18)13-2-1-12-8-14(4-3-11(12)7-13)16-19-5-6-20-16/h1-4,7-8,19-20H,5-6H2
InChI Key:
VYLOSJPNTKJLBM-UHFFFAOYSA-N
SMILES:
N#CC(=c1ccc2c(c1)ccc(=C1NCCN1)c2)C#N
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.3g/mol
Monoisotopic Mass:
260.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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