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CAS Number: 50340-79-9
5-(methoxycarbonyl)thiophene-2-carboxylic acid

Structure

 5-(methoxycarbonyl)thiophene-2-carboxylic acid
Name: 5-(methoxycarbonyl)thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 50340799

CAS Registry Number 50340-79-9
Name:
2,?5-?Thiophenedicarboxyli?c acid, 2-?methyl ester
2,5-Thiophenedicarboxylic acid, monomethyl ester (9CI)
5-(Methoxycarbonyl)thiophene-2-carboxylic acid
Methyl thiophene-2,5-dicarboxylate

 

Chemical Formula: C7H6O4S
Exact Mass: 186.00
Molecular Weight: 186.19
m/z: 186.00 (100.0%), 187.00 (8.6%), 187.99 (4.5%)

 

InChI:InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)

InChI Key:HYHZGBOWRWIEGW-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC=C(S1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 187-190 °C Solv: water (7732-18-5); methanol (67-56-1) (3)CAS
Melting Point 186-189 °C   (2)IC
Melting Point 147-148 °C   (4)CAS
Melting Point 142-144 °C   (5)CAS

Specification

98%
References
  1. (2) Goddard, Carl J.; Journal of Heterocyclic Chemistry 1991, V28(1), P17-28 CAPLUS
  2. (3) GB 705950 1954 CAPLUS
  3. (4) Janda, M.; Collection of Czechoslovak Chemical Communications 1962, V27, P372-6 CAPLUS
  4. (5) Morton, Avery A.; Journal of the American Chemical Society 1954, V76, P4935-8 CAPLUS
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