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CAS Number: 23386-40-5
1-oxoisoindoline-5-carboxylic acid

Structure

1-oxoisoindoline-5-carboxylic acid
Name: 1-oxoisoindoline-5-carboxylic acid
Synonyms:
General Information
Product Number: 23386405
CAS Registry Number: 23386-40-5
Name:
1H-​Isoindole-​5-​carboxylic acid, 2,​3-​dihydro-​1-​oxo-
5-​Isoindolinecarboxyli​c acid, 1-​oxo- (8CI); 1-​Oxoisoindoline-​5-​carboxylic acid
 
Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)
Elemental Analysis: C, 61.02; H, 3.98; N, 7.91; O, 27.09
 
InChI: InChI=1S/C9H7NO3/c11-8-7-2-1-5(9(12)13)3-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey: OLKKGIPWCIURHH-UHFFFAOYSA-N
Canonical SMILES : C1C2=C(C=CC(=C2)C(=O)O)C(=O)N1

Specification

98%

References

PCT Int. Appl. (2014), WO 2014025651 A1 20140213.

PCT Int. Appl. (2013), WO 2013018735 A1 20130207. 

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