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CAS Number: 7126-51-4
5-formyl-1H-pyrrole-2-carboxylic acid

Structure

5-formyl-1H-pyrrole-2-carboxylic acid
Name: 5-formyl-1H-pyrrole-2-carboxylic acid
Synonyms:
General Information
Product Number: 7126514

CAS Registry Number 7126-51-4
Name:
1H-​Pyrrole-​2-​carboxylic acid, 5-​formyl-
Pyrrole-2-carboxylic acid, 5-formyl- (6CI,7CI,8CI)
5-Formyl-1H-pyrrole-2-carboxylic acid
5-Formylpyrrole-2-carboxylic acid

 

Chemical Formula: C6H5NO3
Exact Mass: 139.03
Molecular Weight: 139.11
m/z: 139.03 (100.0%), 140.03 (6.7%)

 

InChI:InChI=1S/C6H5NO3/c8-3-4-1-2-5(7-4)6(9)10/h1-3,7H,(H,9,10)

InChI Key:RHYXVCZQDGPFBX-UHFFFAOYSA-N

Canonical SMILES:C1=C(NC(=C1)C(=O)O)C=O

 

Thermal Properties Value Condition Note
Melting Point 202-203 °C   (3)CAS
Melting Point >188 °C (decomp)   (1)CAS

Specification

98%

References
  1. (1) Schmuck, Carsten; European Journal of Organic Chemistry 2008, (2), P324-329 CAPLUS
  2. (3) Khan, M. K. A.; Tetrahedron 1966, V22(7), P2095-2105 CAPLUS
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