3-Pyridinecarboxylic acid, 2-methyl-5-nitro-


Chemical Name: 3-Pyridinecarboxylic acid, 2-methyl-5-nitro-
CAS Number: 59290-81-2
Product Number: AG00EA05(AGN-PC-0JP9C9)
Synonyms:
MDL No:
Molecular Formula: C7H6N2O4
Molecular Weight: 182.1335

Identification/Properties


Computed Properties
Molecular Weight:
182.135g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
182.033g/mol
Monoisotopic Mass:
182.033g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
225
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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