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CAS Number: 23386-41-6
3-oxoisoindoline-5-carboxylic acid

Structure

3-oxoisoindoline-5-carboxylic acid
Name: 3-oxoisoindoline-5-carboxylic acid
Synonyms:
General Information
Product Number: 23386416

CAS Registry Number 23386-41-6
Name:
1H-​Isoindole-​5-​carboxylic acid, 2,​3-​dihydro-​3-​oxo-
5-Isoindolinecarboxylic acid, 3-oxo- (8CI)
1-Oxo-2,3-dihydro-1H-isoindole-6-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%)

 

InChI:InChI=1S/C9H7NO3/c11-8-7-3-5(9(12)13)1-2-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)

InChI Key:VJAXCBJUBWJIRY-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=C(C=C2)C(=O)O)C(=O)N1

 

Thermal Properties Value Condition Note
Melting Point 351.2-353.1 °C   (1)CAS

Specification

98%

References
  1. (1) Kumar, C. Kishor; Journal of Pharmaceutical Science & Technology 2010, V2(12), P380-390 CAPLUS
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