2-Pyridinecarboxylic acid, 6-acetyl-


Chemical Name: 2-Pyridinecarboxylic acid, 6-acetyl-
CAS Number: 122637-39-2
Product Number: AG0080LT(AGN-PC-0045X9)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461

Identification/Properties


Computed Properties
Molecular Weight:
165.148g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
165.043g/mol
Monoisotopic Mass:
165.043g/mol
Topological Polar Surface Area:
67.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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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