3-Pyridinecarboxylic acid, 5-(phenylethynyl)-


Chemical Name: 3-Pyridinecarboxylic acid, 5-(phenylethynyl)-
CAS Number: 175203-69-7
Product Number: AG0020K0(AGN-PC-0KKZFB)
Synonyms:
MDL No:
Molecular Formula: C14H9NO2
Molecular Weight: 223.2268

Identification/Properties


Computed Properties
Molecular Weight:
223.231g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
223.063g/mol
Monoisotopic Mass:
223.063g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
333
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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