Biological Magnetic Resonance Data Bank

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

Undecanedioic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C11H20O4

Natural Isotopic Abundance Mass: 216.2741

Mono-Isotopic Molecular Masses:

  • C12N14: 216.1361591304
  • C13N14: 227.1730623462
  • C12N15: 216.1361591304
  • C13N15: 227.1730623462

InChI string: InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

PubChem Compound (CID): 15816
CAS Registry number: 1852-04-6
MMCD: cq_10830
Beilstein Registry Number: 1780537
MDL number: MFCD00004444
CAS Registry number: 1852-04-6 138950-82-0
Sigma-Aldrich: 177962_ALDRICH
LipidMAPS: LMFA01170007
ChemIDplus: 001852046
EINECS: 217-440-6
ChemDB: 6681588
NIST: 2263764737

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,