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73564-69-9 | 1,2-Di(pyridin-4-yl);ethyne
CAS No: 73564-69-9 Catalog No: AG005COW MDL No:MFCD17013087
Product Description
Catalog Number:
AG005COW
Chemical Name:
1,2-Di(pyridin-4-yl);ethyne
CAS Number:
73564-69-9
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD17013087
IUPAC Name:
4-(2-pyridin-4-ylethynyl)pyridine
InChI:
InChI=1S/C12H8N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H
InChI Key:
SPKCEACOZLCRSV-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)C#Cc1ccncc1
NSC Number:
350012
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| An approach to measure electromechanical properties of atomic and molecular junctions. | Journal of physics. Condensed matter : an Institute of Physics journal 20120425 |
| Single molecule conductance of bipyridyl ethynes: the role of surface binding modes. | The journal of physical chemistry. B 20101118 |
| Synthetic and computational studies on factors controlling structures of molecular triangles and squares and their equilibrium in solutions. | Inorganic chemistry 20100215 |
| Self-selection in the self-assembly of isomeric supramolecular squares from unsymmetrical bis(4-pyridyl)acetylene ligands. | The Journal of organic chemistry 20080905 |
| 4-[5-(4-Pyrid-yl)-1,3,4-oxadiazol-2-yl]pyridine N-oxide-isophthalic acid (1/1). | Acta crystallographica. Section E, Structure reports online 20080601 |
| Hexakis(4-(N-butylpyridylium))benzene: a six-electron organic redox system. | The Journal of organic chemistry 20080118 |
| Syntheses, spectroscopic and molecular quadratic nonlinear optical properties of dipolar ruthenium(II) complexes of the ligand 1,2-phenylenebis(dimethylarsine). | Dalton transactions (Cambridge, England : 2003) 20040921 |
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