BMRB

Biological Magnetic Resonance Data Bank


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

Cacodylic Acid

Graphical representations:

cacodylic acid image

Molecular Formula: C2 H7 O2 As

Natural Isotopic Abundance Mass: 137.99738

Mono-Isotopic Molecular Masses:

  • C12N14: 137.9662008689
  • C13N14: 139.9729105445
  • C12N15: 137.9662008689
  • C13N15: 139.9729105445

InCHi String:

canonical and isomeric SMILES: C[As](=O)(C)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
dimethylarsinic acid

PUBCHEM iupac TRADITIONAL NAME
cacodylic acid

PubChem Substance (SID):   113284767   104247826   87691590
PubChem Compound (CID):   2513
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   CAD
Miscellaneous Databases and IDs:   MMCD cq_12433   ChEBI CHEBI:48765   NMRShiftDB 20200266   ChEMBL CHEMBL1231644

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.