CAS 4702-13-0 | N-Phthaloylglycine | CAS Number 4702-13-0

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4702-13-0 | N-Phthaloylglycine

CAS No: 4702-13-0 Catalog No: AG003TBI MDL No:MFCD00005900

Product Description

Catalog Number:

AG003TBI

Chemical Name:

N-Phthaloylglycine

CAS Number:

4702-13-0

Molecular Formula:

C10H7NO4

Molecular Weight:

205.1669

MDL Number:

MFCD00005900

IUPAC Name:

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

InChI:

InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)

InChI Key:

WQINSVOOIJDOLJ-UHFFFAOYSA-N

SMILES:

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

EC Number:

225-177-3

UNII:

6J5LY4N0CG

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.169g/mol

Monoisotopic Mass:

205.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
The 1:1 adduct of caffeine and 2-(1,3-dioxoisoindolin-2-yl)acetic acid.	Acta crystallographica. Section E, Structure reports online 20110901
(2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.	Acta crystallographica. Section E, Structure reports online 20090801
N-phthaloyl-glycine-hydroxamic acid as serum iron chelator in rats.	Acta pharmaceutica (Zagreb, Croatia) 20080601
Synthesis and anticonvulsant activity of N,N-phthaloyl derivatives of central nervous system inhibitory amino acids.	Archiv der Pharmazie 20011001