Undecanoic Acid

Undecanoic Acid bmse000563 - Data

Undecanoic_acid synonyms

1-Decanecarboxylic acid; Undecylic acid; undecoic acid; n-Undecylic acid; Hendecanoic acid; n-Undecanoic acid; Undecanoic acid; n-Undecoic acid; n-undecoic acid; UNDECYLIC ACID; Undekansaeure

Wikipedia:

Graphical representations:

undecanoic_acid

View large 3D structure

Molecular Formula: C11H22O2

Natural Isotopic Abundance Mass: 186.29118

Mono-Isotopic Molecular Masses:

  • C12N14: 186.1619799504
  • C13N14: 197.1988831662
  • C12N15: 186.1619799504
  • C13N15: 197.1988831662

InChI string: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

PubChem Compound (CID): 8180
CAS Registry number: 112-37-8
Sigma-Aldrich: 171476_ALDRICH
ChEBI: CHEBI:32368
ChemBank: NCIOpen2_009435
ChemIDplus: 000112378
ChemSpider: 11212682
MMDB: 14684.2
EINECS: 203-964-2
DTP/NCI: 7885
EPA DSSTox: 21690
LipidMAPS: LMFA01010011
Beilstein Handbook Reference: 4-02-00-01068
ChemDB: 3969385
NIST Chemistry WebBook: 4019242151
MMCD: cq_10848
MDL: MFCD00002730

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)