Indole
Indole synonyms
Indol [German]; Ketole; EPA Pesticide Chemical Code 025000; Caswell No. 498B; 1-Benzo(b)pyrrole; Benzopyrrole; AI3-01540; 2,3-Benzopyrole; 1H-Indole; 2,3-Benzopyrrole; 1-Azaindene
Graphical representations:
View large 3D structure
Molecular Formula: C8H7N
Natural Isotopic Abundance Mass: 117.1478800000
Mono-Isotopic Molecular Masses:
- C12N14: 117.05784923
- C13N14: 125.084687932
- C12N15: 118.054884123
- C13N15: 125.084687932
InChI string: InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
IUPAC: 1H-indole
PubChem Compound (CID): 798KEGG Compound ID: C00463
CAS Registry number: 120-72-9
ChEBI: 16881
HSDB: 599
NSC: 1964
CCRIS: 4421
EINECS: 204-420-7
FEMA No.: 2593
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)