Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Cacodylic Acid

Graphical representations:


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Molecular Formula: C2H7O2As

Natural Isotopic Abundance Mass: 137.99738

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)

PubChem Compound (CID): 2513
MMCD: cq_12433
ChEBI: CHEBI:48765
NMRShiftDB: 20200266
PDB Compound ID: CAD

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,