Nonanoic Acid

Nonanoic Acid bmse000499 - Data

Nonanoic synonyms

Pelargonsaeure; n-Nonoic acid; PELARGONIC ACID; 1-Octanecarboxylic acid; Pelargonic acid; Nonansaeure; PLM; Nonylic acid; n-Nonylic acid; CH3-[CH2]7-COOH; nonylic acid

Wikipedia:

Graphical representations:

Nonanoic

View large 3D structure

Molecular Formula: C9H18O2

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)

PubChem Compound (CID): 8158
CAS Registry number: 67762-36-1 112-05-0
Sigma-Aldrich: 73982_FLUKA
ChEBI: CHEBI:29019
EPA DSSTox: 28327
ChemBank: NCIOpen2_003483
ChemSpider: 11212671
MMDB: 14683.2
KEGG Compound ID: C01601
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.

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)