Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Quinaldic Acid

Graphical representations:


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Molecular Formula: C10H7NO2

Natural Isotopic Abundance Mass: 173.16808

Mono-Isotopic Molecular Masses:

  • C12N14: 173.0476784741
  • C13N14: 183.0812268521
  • C12N15: 174.0447133673
  • C13N15: 184.0782617453

InChI string: InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)

PubChem Compound (CID): 7124
CAS Registry number: 93-10-7 16907-79-2
Sigma-Aldrich: 160660_ALDRICH
ChEBI: CHEBI:18386
ChemIDplus: 000093107
ChemSpider: 13872848
EINECS: 202-218-3
DTP/NCI: 330739
KEGG Compound ID: C06325
Beilstein Handbook Reference: 5-22-03-00183
ChemDB: 4260323
NIST Chemistry WebBook: 2915163757
PDB Compound ID: QNC QND

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,