CAS 6349-98-0 | Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)- | CAS Number 6349-98-0

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6349-98-0 | Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-

CAS No: 6349-98-0 Catalog No: AG002LVA MDL No:MFCD00023059

Product Description

Catalog Number:

AG002LVA

Chemical Name:

Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-

CAS Number:

6349-98-0

Molecular Formula:

C13H11NO6

Molecular Weight:

277.2295

MDL Number:

MFCD00023059

IUPAC Name:

2-(1,3-dioxoisoindol-2-yl)pentanedioic acid

InChI:

InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)

InChI Key:

FEFFSKLJNYRHQN-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O

Properties

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.232g/mol

Monoisotopic Mass:

277.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Embryopathic effects of thalidomide and its hydrolysis products in rabbit embryo culture: evidence for a prostaglandin H synthase (PHS)-dependent, reactive oxygen species (ROS)-mediated mechanism.	FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20110701
Resistance of CD-1 and ogg1 DNA repair-deficient mice to thalidomide and hydrolysis product embryopathies in embryo culture.	Toxicological sciences : an official journal of the Society of Toxicology 20110701
Comparative molecular field analysis and comparative molecular similarity indices analysis of thalidomide analogues as angiogenesis inhibitors.	Journal of medicinal chemistry 20040422