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CAS Number: 55473-29-5
ethyl 3-(benzo[b]thiophen-2-yl)-3-oxopropanoate

Structure

ethyl 3-(benzo[b]thiophen-2-yl)-3-oxopropanoate
Name: ethyl 3-(benzo[b]thiophen-2-yl)-3-oxopropanoate
Synonyms:
General Information
Product Number: 55473295
CAS Registry Number: 55473-29-5
Name:
Benzo[b]​thiophene-​2-​propanoic acid, β-​oxo-​, ethyl ester
3-​Benzo[b]​thien-​2-​yl-​3-​oxopropionic acid ethyl ester; Ethyl benzothienyl acetate 
 
Chemical Formula: C13H12O3S
Exact Mass: 248.05
Molecular Weight: 248.30
m/z: 248.05 (100.0%), 249.05 (15.0%), 250.05 (5.2%)
Elemental Analysis: C, 62.88; H, 4.87; O, 19.33; S, 12.91
 
InChI: InChI=1S/C13H12O3S/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7H,2,8H2,1H3
InChIKey: MTBGJAYSPIUVCY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC(=O)C1=CC2=CC=CC=C2S1
 
Thermal Properties Value Condition Note
Melting Point 220-228 °C   (1)CAS

Specification

98%

References
  1. (1) Kendall, John D.; GB 532822 1941 CAPLUS
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