2-hydroxyoctanoic Acid

2_hydroxyoctanoic_acid synonyms

2-hydroxy caprylic acid; alpha-Hydroxycaprylic acid; 2-hydroxy-octanoic acid; ()-2-Hydroxycaprylic acid; ()-2-Hydroxyoctanoic acid; 2-Hydroxyoctanoic acid


Graphical representations:


View large 3D structure

Molecular Formula: C8H16O3

Natural Isotopic Abundance Mass: 160.21084

Mono-Isotopic Molecular Masses:

  • C12N14: 160.1099443799
  • C13N14: 168.1367830823
  • C12N15: 160.1099443799
  • C13N15: 168.1367830823

InChI string: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1

PubChem Compound (CID): 94180
CAS Registry number: 617-73-2
Sigma-Aldrich: H7396_SIGMA
LipidMAPS: LMFA01050020
ChemDB: 6663575
DTP/NCI: 189703
NIST: 307408307
MMCD: cq_10757
MDL: MFCD00014410
PDB Compound ID: HOC

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)