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Home > Indoles and Oxindole > 703-80-0
703-80-0 | 3-Acetylindole
CAS No: 703-80-0 Catalog No: AG0033KI MDL No:MFCD00005626
Product Description
Catalog Number:
AG0033KI
Chemical Name:
3-Acetylindole
CAS Number:
703-80-0
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00005626
IUPAC Name:
1-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChI Key:
VUIMBZIZZFSQEE-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1cccc2
EC Number:
211-875-5
UNII:
0HAT270V6U
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis of carbazolones and 3-acetylindoles via oxidative C-N bond formation through PIFA-mediated annulation of 2-aryl enaminones. | Organic & biomolecular chemistry 20120514 |
| Thionations using a P4S10-pyridine complex in solvents such as acetonitrile and dimethyl sulfone. | The Journal of organic chemistry 20110318 |
| Characterization of cytochrome P450 monooxygenase CYP154H1 from the thermophilic soil bacterium Thermobifida fusca. | Applied microbiology and biotechnology 20110301 |
| Synthesis and antiviral activity of new indole-based heterocycles. | Chemical & pharmaceutical bulletin 20101101 |
| Anti HIV-1 agents 5: synthesis and anti-HIV-1 activity of some N-arylsulfonyl-3-acetylindoles in vitro. | Bioorganic & medicinal chemistry letters 20100615 |
| Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201 |
| Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor. | Bioorganic & medicinal chemistry letters 20090801 |
| Evaluation of indole-based probes for high-throughput screening of drug binding to human serum albumin: Analysis by high-performance affinity chromatography. | Journal of separation science 20090401 |
| Low-temperature study of 3-acetylindole at 110 K. | Acta crystallographica. Section C, Crystal structure communications 20080701 |
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