BMRB

Biological Magnetic Resonance Data Bank


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

2-octenoic Acid

2_octenoic_acid synonyms

2-Octenoic acid; 2-Octenoic acid, (E)-; (2E)-2-Octenoic acid

Wikipedia:

Graphical representations:

2_octenoic_acid

View large 3D structure

Molecular Formula: C8H14O2

Natural Isotopic Abundance Mass: 142.19556

Mono-Isotopic Molecular Masses:

  • C12N14: 142.0993796936
  • C13N14: 150.126218396
  • C12N15: 142.0993796936
  • C13N15: 150.126218396

InChI string: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

PubChem Compound (CID): 5282714
Sigma-Aldrich: O5209_ALDRICH
NIST Chemistry WebBook: 2944652532
NIST: 3851668027
MMCD: cq_10586
MDL: MFCD00002706

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, https://www.nature.com/articles/sdata201773)