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4290-94-2 | 1-Ethylindoline-2,3-dione
CAS No: 4290-94-2 Catalog No: AG0070TR MDL No:MFCD00224220
Product Description
Catalog Number:
AG0070TR
Chemical Name:
1-Ethylindoline-2,3-dione
CAS Number:
4290-94-2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00224220
IUPAC Name:
1-ethylindole-2,3-dione
InChI:
InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3
InChI Key:
ORYSFKVWQQMDAX-UHFFFAOYSA-N
SMILES:
CCN1C(=O)C(=O)c2c1cccc2
NSC Number:
243530
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Discovery and structure optimization of a series of isatin derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors. | Chemical biology & drug design 20140401 |
| 2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methyl-piperazine-1-carbodithio-ate. | Acta crystallographica. Section E, Structure reports online 20120101 |
| Simple isatin derivatives as free radical scavengers: Synthesis, biological evaluation and structure-activity relationship. | Chemistry Central journal 20110101 |
| 2-(2,3-Dioxoindolin-1-yl)ethyl 4-(4-nitro-phen-yl)piperazine-1-carbodithio-ate. | Acta crystallographica. Section E, Structure reports online 20100901 |
| 1-Tetra-decyl-indoline-2,3-dione. | Acta crystallographica. Section E, Structure reports online 20100601 |
| 1-Decyl-indoline-2,3-dione. | Acta crystallographica. Section E, Structure reports online 20100601 |
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