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CAS Number: 16168-93-7
4-acetyl-1H-pyrrole-2-carboxylic acid

Structure

 4-acetyl-1H-pyrrole-2-carboxylic acid
Name: 4-acetyl-1H-pyrrole-2-carboxylic acid
Synonyms:
General Information
Product Number: 16168937

CAS Registry Number 16168-93-7
Name:
1H-?Pyrrole-?2-?carboxylic acid, 4-?acetyl-
Pyrrole-2-carboxylic acid, 4-acetyl- (8CI)
4-Acetyl-1H-pyrrole-2-carboxylic acid

 

Chemical Formula: C7H7NO3
Exact Mass: 153.04
Molecular Weight: 153.14
m/z: 153.04 (100.0%), 154.05 (7.8%)

 

InChI:InChI=1S/C7H7NO3/c1-4(9)5-2-6(7(10)11)8-3-5/h2-3,8H,1H3,(H,10,11)

InChI Key:VVIPTQFODJDSQU-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CNC(=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 219-221 °C (decomp)   (1)IC
Melting Point 213-214 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC

Specification

98%
References
  1. (1) Anderson, Hugh J.; Synthetic Communications 1987, V17(4), P401-7 CAPLUS
  2. (2) Garrido, Daniel O. Alonso; Journal of Organic Chemistry 1988, V53(2), P403-7 CAPLUS
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