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CAS Number: 406719-77-5
4-cyanothiophene-2-carboxylic acid

Structure

4-cyanothiophene-2-carboxylic acid
Name: 4-cyanothiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 406719775
CAS Registry Number: 406719-77-5
Name:
        2-​Thiophenecarboxylic acid, 4-​cyano-
        4-​Cyano-​2-​thiophenecarboxylic acid 
 
Chemical Formula: C6H3NO2S
Exact Mass: 152.99
Molecular Weight: 153.16
m/z: 152.99 (100.0%), 153.99 (7.8%), 154.98 (4.5%)
Elemental Analysis: C, 47.05; H, 1.97; N, 9.15; O, 20.89; S, 20.94
 
InChI: InChI=1S/C6H3NO2S/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,(H,8,9)
InChIKey: ISGHIGMGRPSNGM-UHFFFAOYSA-N
Canonical SMILES : C1=C(SC=C1C#N)C(=O)O

Specification

98%

References

PCT Int. Appl. (2013), WO 2013170112 A1 20131114.  

PCT Int. Appl. (2011), WO 2011003418 A1 20110113.

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