3-Pyridinecarboxylic acid, 6-methyl-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 6-methyl-, ethyl ester
CAS Number: 21684-59-3
Product Number: AG00BDEF(AGN-PC-0JP5VA)
Synonyms:
MDL No: MFCD00234551
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
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


Other Analytical Data


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