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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Isonicotinic Acid
Isonicotinic_acid synonyms
AI3-19239; Acide iso-nicotinique [French]; 1,4-Dihydroisonicotinic acid; gamma-Pyridinecarboxylic acid; 4-Picolinic acid; Isonicotinic acid; p-Pyridinecarboxylic acid; ISONICOTINIC ACID; INA; gamma-Picolinic acid; 4-Pyridinecarboxylic acid
Graphical representations:
View large 3D structure
Molecular Formula: C6H5NO2
Natural Isotopic Abundance Mass: 123.1094000000
Mono-Isotopic Molecular Masses:
- C12N14: 123.03202841
- C13N14: 129.052157437
- C12N15: 124.029063303
- C13N15: 129.052157437
InChI string: InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/f/h8H
IUPAC: pyridine-4-carboxylic acid
PubChem Compound (CID): 5922KEGG Compound ID: C07446
CAS Registry number: 55-22-1
ChEBI: 6032
EINECS: 200-228-2
NSC: 1483
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)