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CAS Number: 57011-95-7
2-(1,1-dioxidobenzo[b]thiophen-3-yl)acetic acid

Structure

 2-(1,1-dioxidobenzo[b]thiophen-3-yl)acetic acid
Name: 2-(1,1-dioxidobenzo[b]thiophen-3-yl)acetic acid
Synonyms:
General Information
Product Number: 57011957

CAS Registry Number 57011-95-7
Name:
Benzo[b]?thiophene-?3-?acetic acid, 1,?1-?dioxide

 

Chemical Formula: C10H8O4S
Exact Mass: 224.01
Molecular Weight: 224.23
m/z: 224.01 (100.0%), 225.02 (11.1%), 226.01 (4.5%), 226.02 (1.5%)

 

InChI:InChI=1S/C10H8O4S/c11-10(12)5-7-6-15(13,14)9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)

InChI Key:ZOPUKGNRPLEUBL-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CS2(=O)=O)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 276 °C (decomp)   (1)IC

Specification

98%
References

(1) Neidlein, R.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(7), P513-19 CAPLUS
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