1,3-Diacetylindole - CAS 17537-64-3
Catalog: |
BB013135 |
Product Name: |
1,3-Diacetylindole |
CAS: |
17537-64-3 |
Synonyms: |
1-(1-acetyl-3-indolyl)ethanone; 1-(1-acetylindol-3-yl)ethanone |
IUPAC Name: | 1-(1-acetylindol-3-yl)ethanone |
Description: | 1,3-Diacetylindole (CAS# 17537-64-3) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CC(=O)C1=CN(C2=CC=CC=C21)C(=O)C |
InChI: | InChI=1S/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3 |
InChI Key: | STUZJORZRZCLRI-UHFFFAOYSA-N |
Boiling Point: | 338.8 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
MDL: | MFCD00039692 |
LogP: | 2.50400 |
Publication Number | Title | Priority Date |
CN-109942479-A | A kind of purifying technique of N, O-1,3- diacetyl indoles | 20190424 |
CN-108752256-A | A kind of N- acyl indol class compounds process for production thereof based on alkenyl carboxylate as acylting agent | 20180424 |
CN-108752256-B | Preparation method of N-acyl indole compound based on carboxylic acid alkenyl ester as acylation reagent | 20180424 |
EP-1978805-A1 | Pesticidal composition comprising indole derivates | 20060130 |
US-2009028796-A1 | Pesticidal composition comprising indole derivates | 20060130 |
PMID | Publication Date | Title | Journal |
19875329 | 20091201 | Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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