3-Pyridinecarboxylic acid, 5-formyl-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-formyl-, methyl ester
CAS Number: 6221-06-3
Product Number: AG00EELU(AGN-PC-02JGYG)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461

Identification/Properties


Computed Properties
Molecular Weight:
165.148g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
165.043g/mol
Monoisotopic Mass:
165.043g/mol
Topological Polar Surface Area:
56.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
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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