BMRB

Biological Magnetic Resonance Data Bank


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

Nonanoic Acid

Graphical representations:

Nonanoic Acid image

Molecular Formula: C9 H18 O2

Natural Isotopic Abundance Mass: 158.23802

Mono-Isotopic Molecular Masses:

  • C12N14: 158.130679822
  • C13N14: 167.1608733622
  • C12N15: 158.130679822
  • C13N15: 167.1608733622

InCHi String: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

canonical and isomeric SMILES: CCCCCCCCC(=O)O

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

PUBCHEM iupac TRADITIONAL NAME
pelargonic acid

PubChem Substance (SID):   85165281   838005   8144879
PubChem Compound (CID):   8158
KEGG: Compound ID   C01601
CAS Registry IDs:   67762-36-1   112-05-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 73982_FLUKA   ChEBI CHEBI:29019   EPA DSSTox 28327   ChemBank NCIOpen2_003483   ChemSpider 11212671   MMDB 14683.2   DTP/NCI 62787   NIST Chemistry WebBook 861413668   MMCD cq_01044   MDL MFCD00004433

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.