5-methoxy-3-indoleacetic Acid

5_methoxy_3_indoleacetic_acid synonyms

Methoxyindoleacetic acid; 5-Methoxyindole-3-acetic acid; (5-Methoxy-1H-indol-3-yl)-acetic acid; 1H-Indole-3-acetic acid, 5-methoxy-; 2-(5-methoxy-1H-indol-3-yl)acetic acid; 5-Methoxy-3-indoleacetic acid; Indole-3-acetic acid, 5-methoxy-; 5-Methoxyindoleacetic acid; 5-Methoxyindol-3-ylacetic acid

Wikipedia:

Graphical representations:

5_methoxy_3_indoleacetic_acid

View large 3D structure

Molecular Formula: C11H11NO3

Natural Isotopic Abundance Mass: 205.20994

Mono-Isotopic Molecular Masses:

  • C12N14: 205.0738932246
  • C13N14: 216.1107964404
  • C12N15: 206.0709281178
  • C13N15: 217.1078313336

InChI string: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

PubChem Compound (CID): 18986
CAS Registry number: 110885-75-1 3471-31-6
Sigma-Aldrich: M14935_ALDRICH
ChEBI: CHEBI:235589
ChemIDplus: 003471316
EINECS: 222-438-3
KEGG Compound ID: M14935_ALDRICH
NIAID: 166242
ChemDB: 4559084
NIST: 2380176688
MMCD: cq_03186
MDL: MFCD00005638

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)