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CAS Number: 71050-40-3
4-methoxythiophene-3-carboxylic acid

Structure

4-methoxythiophene-3-carboxylic acid
Name: 4-methoxythiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 71050403

CAS Registry Number 71050-40-3
Name:
3-?Thiophenecarboxylic acid, 4-?methoxy-
4-Methoxy-3-thiophenecarboxylic acid
4-Methoxythiophene-3-carboxylic acid

 

Chemical Formula: C6H6O3S
Exact Mass: 158.00
Molecular Weight: 158.18
m/z: 158.00 (100.0%), 159.01 (6.7%), 160.00 (4.5%)

 

InChI:InChI=1S/C6H6O3S/c1-9-5-3-10-2-4(5)6(7)8/h2-3H,1H3,(H,7,8)

InChI Key:KEYPLCJVNVJJQK-UHFFFAOYSA-N

Canonical SMILES:COC1=CSC=C1C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 106-107.5 °C   (1)IC
Melting Point 100-105 °C   (2)CAS

Specification

98%

References
  1. (1) Press, Jeffery B.; Journal of Organic Chemistry 1979, V44(19), P3292-6 CAPLUS
  2. (2) Mitsumori, Susumu; Journal of Medicinal Chemistry 2003, V46(12), P2446-2455 CAPLUS
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