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 image

Molecular Formula: C8 H14 O2

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+

canonical SMILES: CCCCCC=CC(=O)O

isomeric SMILES: CCCCC/C=C/C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-oct-2-enoic acid

PUBCHEM iupac CAS NAME
(E)-2-octenoic acid

PubChem Substance (SID):   111677759   24898011   10508402
PubChem Compound (CID):   5282714
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   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.