Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-naphthoic Acid

2_naphthoic_acid synonyms

2-Naphthalenecarboxylic acid; 2-Naphthoic acid


Graphical representations:


View large 3D structure

Molecular Formula: C11H8O2

Natural Isotopic Abundance Mass: 172.18002

Mono-Isotopic Molecular Masses:

  • C12N14: 172.052429501
  • C13N14: 183.0893327168
  • C12N15: 172.052429501
  • C13N15: 183.0893327168

InChI string: InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

PubChem Compound (CID): 7123
Sigma-Aldrich: 180246_ALDRICH
ChemSpider: 11438727
ChemDB: 5080861
NIST Chemistry WebBook: 4281060752
NIST: 4281060752
MMCD: cq_09945
MDL: MFCD00004101

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,