3-Pyridinecarboxaldehyde, 5-phenyl-


Chemical Name: 3-Pyridinecarboxaldehyde, 5-phenyl-
CAS Number: 113118-84-6
Product Number: AG008XX5(AGN-PC-00PJ3K)
Synonyms:
MDL No:
Molecular Formula: C12H9NO
Molecular Weight: 183.2060

Identification/Properties


Computed Properties
Molecular Weight:
183.21g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
183.068g/mol
Monoisotopic Mass:
183.068g/mol
Topological Polar Surface Area:
30A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
187
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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