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1,2-Di(pyridin-4-yl)ethyne

Catalog Number
ACM73564699-2
CAS Number
73564-69-9
Product Name
1,2-Di(pyridin-4-yl)ethyne
Structure
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
Synonyms
4-(2-Pyridin-4-ylethynyl)pyridine
IUPAC Name
4-(2-pyridin-4-ylethynyl)pyridine
Molecular Weight
180.21
Molecular Formula
C12H8N2
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
Purity
96%
Appearance
White or grey powders
Complexity
201
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
180.068748264g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
180.068748264g/mol
NSC Number
350012
Rotatable Bond Count
2
Topological Polar Surface Area
25.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.8
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