4-(2-Carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-(2-Carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
• CAS No.: 6317-47-1
• Molecular Formula: C11H13 N O6
• Molecular Weight: 255.224
• NSC Number: 39475
• DSSTox Substance ID: DTXSID50284873
• Wikidata: Q82020037
• Mol file: 6317-47-1.mol

Synonyms:6317-47-1;4-(2-carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid;NSC39475;DTXSID50284873;NSC-39475

Chemical Property of 4-(2-Carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.1E-14mmHg at 25°C
• Boiling Point: 588.3°C at 760 mmHg
• Flash Point: 309.6°C
• Density: 1.428g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 255.07428713
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC=C1CCC(=O)O)C(=O)O