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13295-94-8 | Pyridine, 4-(2-phenylethynyl)-
CAS No: 13295-94-8 Catalog No: AG0011GC MDL No:MFCD00564921
Product Description
Catalog Number:
AG0011GC
Chemical Name:
Pyridine, 4-(2-phenylethynyl)-
CAS Number:
13295-94-8
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
MDL Number:
MFCD00564921
IUPAC Name:
4-(2-phenylethynyl)pyridine
InChI:
InChI=1S/C13H9N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,8-11H
InChI Key:
MDTKRBFWMKZRDH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1ccncc1
NSC Number:
525252
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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