3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 37789-66-5
• Molecular Formula: C₁₂H₁₅NO₆
• Molecular Weight: 269.254
• DSSTox Substance ID: DTXSID901171172

Synonyms:37789-66-5;DTXSID901171172;5-Ethyl 3-(2-carboxyethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate

Chemical Property of 3-(2-carboxyethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 269.08993720
• Heavy Atom Count: 19
• Complexity: 369

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(N1)C(=O)O)CCC(=O)O)C

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