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


Chemical Name: 3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
CAS Number: 26218-80-4
Product Number: AG002SB3(AGN-PC-0JTBXY)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
160
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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