4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester


Chemical Name: 4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester
CAS Number: 21908-08-7
Product Number: AG006YP1(AGN-PC-02GRO5)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
56.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
193
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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