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CAS Number: 80242-24-6
4-cyano-1H-pyrrole-2-carboxylic acid

Structure

4-cyano-1H-pyrrole-2-carboxylic acid
Name: 4-cyano-1H-pyrrole-2-carboxylic acid
Synonyms:
General Information
Product Number: 80242246

CAS Registry Number 80242-24-6
Name:
1H-​Pyrrole-​2-​carboxylic acid, 4-​cyano-
4-Cyano-1H-pyrrole-2-carboxylic acid
4-Cyanopyrrole-2-carboxylic acid

 

Chemical Formula: C6H4N2O2
Exact Mass: 136.03
Molecular Weight: 136.11
m/z: 136.03 (100.0%), 137.03 (6.6%)

 

InChI:InChI=1S/C6H4N2O2/c7-2-4-1-5(6(9)10)8-3-4/h1,3,8H,(H,9,10)

InChI Key:SAEZQFNKTQKVSM-UHFFFAOYSA-N

Canonical SMILES:C1=C(NC=C1C#N)C(=O)O

 

Thermal Properties Value Condition Note
Boiling Point 130 °C Press: 0.1 Torr (1)IC
Melting Point 279 °C (decomp)   (1)IC
Melting Point 265-270 °C (decomp)   (2)IC

Specification

98%

References
  1. (1) Loader, Charles E.; Canadian Journal of Chemistry 1981, V59(17), P2673-6 CAPLUS
  2. (2) Anderson, Hugh J.; Synthetic Communications 1987, V17(4), P401-7 CAPLUS
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