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CAS Number: 67808-66-6
methyl 5-formylthiophene-3-carboxylate

Structure

methyl 5-formylthiophene-3-carboxylate
Name: methyl 5-formylthiophene-3-carboxylate
Synonyms:
General Information
Product Number: 67808666

CAS Registry Number: 67808-66-6

Name:

3-​Thiophenecarboxylic acid, 5-​formyl-​, methyl ester
5-​Formylthiophene-​3-​carboxylic acid methyl ester; Methyl 5-​formylthiophene-​3-​carboxylate 

 

Chemical Formula: C7H6O3S
Exact Mass: 170.00
Molecular Weight: 170.19
m/z: 170.00 (100.0%), 171.01 (7.8%), 172.00 (4.5%)
Elemental Analysis: C, 49.40; H, 3.55; O, 28.20; S, 18.84

 

InChI: InChI=1S/C7H6O3S/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3
InChIKey: GNXNZRYWBFMVHK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CSC(=C1)C=O

 

Thermal Properties Value Condition Note
Melting Point 114-116 °C Solv: acetone (67-64-1); water (7732-18-5) (1)CAS

 

Specification

98%

References
  1. (1) Gronowitz, Salo; Arkiv foer Kemi 1963, V21(24), P265-84 CAPLUS
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