BMRB

Biological Magnetic Resonance Data Bank


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

Cyclohexanecarboxylic Acid

Graphical representations:

cyclohexanecarboxylic acid image

Molecular Formula: C7 H12 O2

Natural Isotopic Abundance Mass: 128.16898

Mono-Isotopic Molecular Masses:

  • C12N14: 128.0837296294
  • C13N14: 135.107213494
  • C12N15: 128.0837296294
  • C13N15: 135.107213494

InCHi String:

canonical and isomeric SMILES: C1CCC(CC1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
cyclohexanecarboxylic acid

PubChem Substance (SID):   111677746   4367041   12010
PubChem Compound (CID):   7413
KEGG: Compound ID   C09822
CAS Registry IDs:   98-89-5   25666-60-8   7549-42-0   50825-29-1   136-01-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 101834_ALDRICH   ChEBI CHEBI:36096   ChemIDplus 000098895   ChemSpider 11269999   EINECS 202-711-3   DTP/NCI 452   EPA Pesticide Chemical Code 112603   Beilstein Handbook Reference 4-09-00-00016   ChemDB 4973330   NIST Chemistry WebBook 3591473726   MMCD cq_06493   MDL MFCD00001461

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.