BMRB

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

Wikipedia:

Graphical representations:

2-naphthoic acid image

Molecular Formula: C11 H8 O2

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)

canonical and isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
naphthalene-2-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
2-naphthoic acid

PUBCHEM iupac CAS NAME
2-naphthalenecarboxylic acid

PubChem Substance (SID):   111677831   5788142   10432674
PubChem Compound (CID):   7123
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   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.