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CAS Number: 26461-80-3
3-(benzo[b]thiophen-3-yl)propanoic acid

Structure

 3-(benzo[b]thiophen-3-yl)propanoic acid
Name: 3-(benzo[b]thiophen-3-yl)propanoic acid
Synonyms:
General Information
Product Number: 26461803

CAS Registry Number 26461-80-3
Name:
Benzo[b]?thiophene-?3-?propanoic acid
Benzo[b]thiophene-3-propionic acid (8CI)
3-(3-Thianaphthenyl)propionic acid
3-(Benzo[b]thiophen-3-yl)propionic acid
3-(Benzothiophen-3-yl)propanoic acid
3-Thianaphthenepropionic acid

 

Chemical Formula: C11H10O2S
Exact Mass: 206.04
Molecular Weight: 206.26
m/z: 206.04 (100.0%), 207.04 (12.8%), 208.04 (5.0%)

 

InChI:InChI=1S/C11H10O2S/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,12,13)

InChI Key:GTCFFWIYYOTHRS-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 227 °C Press: 19 Torr (1)CAS
Melting Point 147-148.5 °C   (2)CAS
Melting Point 145 °C   (1)CAS

Specification

98%
References
  1. (1) Cagniant, Paul; Bulletin de la Societe Chimique de France 1949, P382-8 CAPLUS
  2. (2) Gaertner, Russell; Journal of the American Chemical Society 1952, V74, P2185-8 CAPLUS
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