CAS 5022-29-7 | 2-Ethylisoindoline-1,3-dione | CAS Number 5022-29-7

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5022-29-7 | 2-Ethylisoindoline-1,3-dione

CAS No: 5022-29-7 Catalog No: AG003T0P MDL No:MFCD00014583

Product Description

Catalog Number:

AG003T0P

Chemical Name:

2-Ethylisoindoline-1,3-dione

CAS Number:

5022-29-7

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD00014583

IUPAC Name:

2-ethylisoindole-1,3-dione

InChI:

InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3

InChI Key:

JZDSOQSUCWVBMV-UHFFFAOYSA-N

SMILES:

CCN1C(=O)c2c(C1=O)cccc2

EC Number:

225-707-3

UNII:

2PU4A53CO7

NSC Number:

2774

Properties

Complexity:

225

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:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Novel modifications in the series of O-(2-phthalimidoethyl)-N-substituted thiocarbamates and their ring-opened congeners as non-nucleoside HIV-1 reverse transcriptase inhibitors.	European journal of medicinal chemistry 20090401
Parallel one-pot synthesis and structure-activity relationship study of symmetric formimidoester disulfides as a novel class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors.	Bioorganic & medicinal chemistry 20080615