CAS 39755-95-8 | 5-Methoxyisatin | CAS Number 39755-95-8

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39755-95-8 | 5-Methoxyisatin

CAS No: 39755-95-8 Catalog No: AG003MUC MDL No:MFCD00169023

Product Description

Catalog Number:

AG003MUC

Chemical Name:

5-Methoxyisatin

CAS Number:

39755-95-8

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD00169023

IUPAC Name:

5-methoxy-1H-indole-2,3-dione

InChI:

InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

InChI Key:

DMHGXMPXHPOXBF-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)C(=O)C(=O)N2

UNII:

C7GA9U9TN1

NSC Number:

88052

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives.	Journal of agricultural and food chemistry 20110928
QSAR study of isatin analogues as in vitro anti-cancer agents.	European journal of medicinal chemistry 20100301
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.	Journal of medicinal chemistry 20070419
In vitro cytotoxicity evaluation of some substituted isatin derivatives.	Bioorganic & medicinal chemistry 20070115
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501