5-(methoxycarbonyl)-1-methyl-1H-pyrrole-3-carboxylic acid

Base Information

• Chemical Name: 5-(methoxycarbonyl)-1-methyl-1H-pyrrole-3-carboxylic acid
• CAS No.: 67858-49-5
• Molecular Formula: C8H9NO4
• European Community (EC) Number: 853-346-7
• DSSTox Substance ID: DTXSID701245367

Synonyms:5-(methoxycarbonyl)-1-methyl-1H-pyrrole-3-carboxylic acid;67858-49-5;SCHEMBL21570127;DTXSID701245367;AKOS006293002;CS-0310955;EN300-225068;2-Methyl 1-methyl-1H-pyrrole-2,4-dicarboxylate;5-methoxycarbonyl-1-methylpyrrole-3-carboxylic acid;Z1198166698;5-(methoxycarbonyl)-1-methyl-1H-pyrrole-3-carboxylicacid

Chemical Property of 5-(methoxycarbonyl)-1-methyl-1H-pyrrole-3-carboxylic acid

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)OC)C(=O)O

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