CAS 3891-07-4 | 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- | CAS Number 3891-07-4

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3891-07-4 | 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-

CAS No: 3891-07-4 Catalog No: AG001IF5 MDL No:MFCD00005903

Product Description

Catalog Number:

AG001IF5

Chemical Name:

1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-

CAS Number:

3891-07-4

Molecular Formula:

C10H9NO3

Molecular Weight:

191.1834

MDL Number:

MFCD00005903

IUPAC Name:

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

InChI:

InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2

InChI Key:

MWFLUYFYHANMCM-UHFFFAOYSA-N

SMILES:

OCCN1C(=O)c2c(C1=O)cccc2

EC Number:

223-434-4

UNII:

61842K53O1

Properties

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.186g/mol

Monoisotopic Mass:

191.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Bis[2-(1,3-dioxoisoindolin-2-yl)eth-yl] phthalate.	Acta crystallographica. Section E, Structure reports online 20100201
New lipophilic phthalimido- and 3-phenoxybenzyl sulfonates: inhibition of antigen 85C mycolyltransferase activity and cytotoxicity.	Journal of enzyme inhibition and medicinal chemistry 20060801