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CAS Number: 931-03-3
1H-pyrrole-3-carboxylic acid

Structure

1H-pyrrole-3-carboxylic acid
Name: 1H-pyrrole-3-carboxylic acid
Synonyms:
General Information
Product Number: 931033

CAS Registry Number: 931-03-3

Name:

1H-​Pyrrole-​3-​carboxylic acid
Pyrrole-​3-​carboxylic acid (6CI,​7CI,​8CI); 3-​Carboxypyrrole 

 

Chemical Formula: C5H5NO2
Exact Mass: 111.03
Molecular Weight: 111.10
m/z: 111.03 (100.0%), 112.04 (5.5%)
Elemental Analysis: C, 54.05; H, 4.54; N, 12.61; O, 28.80

 

InChI: InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKey: DOYOPBSXEIZLRE-UHFFFAOYSA-N
Canonical SMILES : C1=CNC=C1C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 212-214 °C (decomp)   (4)CAS
Melting Point 161 °C   (5)CAS
Melting Point 160 °C   (1)CAS
Melting Point 150-151 °C   (2)IC
Melting Point 150.0-150.5 °C   (6)CAS
Melting Point 150-150.5 °C   (7)CAS

Specification

98%

References
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  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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  12. (12) Sus, Oskar; Justus Liebigs Annalen der Chemie 1955, V593, P91-126 CAPLUS
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