CAS 3416-57-7 | 2-(2-Oxopropyl);isoindoline-1,3-dione | CAS Number 3416-57-7

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3416-57-7 | 2-(2-Oxopropyl);isoindoline-1,3-dione

CAS No: 3416-57-7 Catalog No: AG003TRO MDL No:MFCD00088346

Product Description

Catalog Number:

AG003TRO

Chemical Name:

2-(2-Oxopropyl);isoindoline-1,3-dione

CAS Number:

3416-57-7

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

MDL Number:

MFCD00088346

IUPAC Name:

2-(2-oxopropyl)isoindole-1,3-dione

InChI:

InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3

InChI Key:

STMRGLKPBJVVEG-UHFFFAOYSA-N

SMILES:

CC(=O)CN1C(=O)c2c(C1=O)cccc2

UNII:

C4ZC7V7NJ6

NSC Number:

35996

Properties

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.197g/mol

Monoisotopic Mass:

203.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.	European journal of medicinal chemistry 20101201
Enaminones in heterocyclic synthesis: a novel route to tetrahydropyrimidines, dihydropyridines, triacylbenzenes and naphthofurans under microwave irradiation.	Molecules (Basel, Switzerland) 20091225