Propanedioic acid, 1H-pyrrol-2-yl-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, 1H-pyrrol-2-yl-, dimethyl ester
• CAS No.: 68940-77-2
• Molecular Formula: C9H11NO4
• Molecular Weight: 197.191
• DSSTox Substance ID: DTXSID50438894
• Nikkaji Number: J511.826C
• Wikidata: Q82254736

Synonyms:Propanedioic acid, 1H-pyrrol-2-yl-, dimethyl ester;68940-77-2;Dimethyl 2-(1H-pyrrol-2-yl)propanedioate;DTXSID50438894;(1H-Pyrrole-2-yl)malonic acid dimethyl ester

Chemical Property of Propanedioic acid, 1H-pyrrol-2-yl-, dimethyl ester

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 197.06880783
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CN1)C(=O)OC

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