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CAS Number: 4576-90-3
isothiazole-3-carboxylic acid

Structure

isothiazole-3-carboxylic acid
Name: isothiazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 4576903
CAS Registry Number: 4576-90-3
Name:
        3-​Isothiazolecarboxyli​c acid
 
Chemical Formula: C4H3NO2S
Exact Mass: 128.99
Molecular Weight: 129.14
m/z: 128.99 (100.0%), 129.99 (5.6%), 130.98 (4.5%)
Elemental Analysis: C, 37.20; H, 2.34; N, 10.85; O, 24.78; S, 24.83
 
InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
InChIKey: BMPVWNJQCJQBFW-UHFFFAOYSA-N
Canonical SMILES : C1=CSN=C1C(=O)O

Specification

98%

References

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

PCT Int. Appl. (2013), WO 2013014567 A1 20130131. 

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