CAS Registry Number: 33025-60-4

Name:

Ethanone, 1-​(3-​hydroxy-​1H-​indol-​1-​yl)​-
1H-​Indol-​3-​ol, 1-​acetyl- (9CI); Indoxyl, 1-​acetyl- (6CI); 1-​(3-​Hydroxy-​1H-​indol-​1-​yl)​ethanone; 1-​(3-​Hydroxyindol-​1-​yl)​ethanone; 1-​Acetyl-​3-​hydroxyindole; N-​Acetyl-​3-​hydroxyindole; N-​Acetylindol-​3-​ol 

Deleted CAS Registry Numbers: 419563-​66-​9

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)
Elemental Analysis: C, 68.56; H, 5.18; N, 8.00; O, 18.27

InChI: InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3
InChIKey: NNJXIAOPPYUVAX-UHFFFAOYSA-N
Canonical SMILES : CC(=O)N1C=C(C2=CC=CC=C21)O

Specification

98%

1. (1) Etienne, Andre; Bulletin de la Societe Chimique de France 1948, P651-8 CAPLUS
2. (2) Nenitzescu, Costin D.; Chemische Berichte 1958, V91, P1141-5 CAPLUS
3. (3) Vorlander, D.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1919, V52B, P325-9 CAPLUS