Indole-3-acetic Acid

Indole-3-acetic Acid bmse000177 - Data bmst000318 - Theory

Indole_3_acetic_acid synonyms

Hexteroauxin; Rhizopon A; beta-Indoleacetic acid; Indoleacetic acid (VAN); Indoleacetate; Heteroauxinhexteroauxiniaa; 1H-Indole-3-acetic acid (9CI); 3-Indoleacetic acid; Kyselina 3-indolyloctova [Czech]; Indoleacetic acid; omega-Skatole carboxylic acid

Wikipedia:

Graphical representations:

indole_3_acetic_acid

View large 3D structure

Molecular Formula: C10H9NO2

Natural Isotopic Abundance Mass: 175.1839600000

Mono-Isotopic Molecular Masses:

  • C12N14: 175.063328538
  • C13N14: 185.096876916
  • C12N15: 176.060363431
  • C13N15: 186.0939118095

InChI string: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

IUPAC: 2-(1H-indol-3-yl)acetic acid

PubChem Compound (CID): 802
KEGG Compound ID: C00954
CAS Registry number: 2338-19-4 54692-39-6 6305-45-9 87-51-4
ChEBI: 16411
EINECS: 201-748-2
CCRIS: 1014
NSC: 3787
PDB Compound ID: IAC

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)