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89272-92-4 | Pentanedinitrile, 2-[[(2-pyridinylmethylene)hydrazino]methyl]-
CAS No: 89272-92-4 Catalog No: AG004173 MDL No:
Product Description
Catalog Number:
AG004173
Chemical Name:
Pentanedinitrile, 2-[[(2-pyridinylmethylene)hydrazino]methyl]-
CAS Number:
89272-92-4
Molecular Formula:
C12H13N5
Molecular Weight:
227.2651
IUPAC Name:
2-[[2-(pyridin-2-ylmethylidene)hydrazinyl]methyl]pentanedinitrile
InChI:
InChI=1S/C12H13N5/c13-6-3-4-11(8-14)9-16-17-10-12-5-1-2-7-15-12/h1-2,5,7,10-11,16H,3-4,9H2
InChI Key:
OMRDOPWOUIBWOV-UHFFFAOYSA-N
SMILES:
N#CC(CCC#N)CNN=Cc1ccccn1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.271g/mol
Monoisotopic Mass:
227.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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