CAS 39603-24-2 | 5,7-Dimethylindoline-2,3-dione | CAS Number 39603-24-2

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39603-24-2 | 5,7-Dimethylindoline-2,3-dione

CAS No: 39603-24-2 Catalog No: AG003MAV MDL No:MFCD00047219

Product Description

Catalog Number:

AG003MAV

Chemical Name:

5,7-Dimethylindoline-2,3-dione

CAS Number:

39603-24-2

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD00047219

IUPAC Name:

5,7-dimethyl-1H-indole-2,3-dione

InChI:

InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)

InChI Key:

HFZSCCJTJGWTDZ-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c2c(c1)C(=O)C(=O)N2

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.187g/mol

Monoisotopic Mass:

175.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.	Journal of medicinal chemistry 20070419
Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain.	Bioorganic & medicinal chemistry letters 20031020