BMRB

Biological Magnetic Resonance Data Bank


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

Salicylaldehyde

Graphical representations:

salicylaldehyde image

Molecular Formula: C7 H6 O2

Natural Isotopic Abundance Mass: 122.12134

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0367794368
  • C13N14: 129.0602633014
  • C12N15: 122.0367794368
  • C13N15: 129.0602633014

InCHi String:

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-hydroxybenzaldehyde

PubChem Substance (SID):   111677815   587819   48416938
PubChem Compound (CID):   6998
KEGG: Compound ID   C06202
CAS Registry IDs:   90-02-8
PDB Chemical Component   NK
Miscellaneous Databases and IDs:   Sigma-Aldrich S356_ALDRICH   ChEBI CHEBI:16008   EPA DSSTox 26542   BioCyc SALICYLALDEHYDE   ZINC ZINC00896073   NMRShiftDB 10005738   NIST Chemistry WebBook 1792148430   MMCD cq_03499   MDL MFCD00003317

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.