4-ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 31840-13-8
• Molecular Formula: C₉H₁₃NO₃
• Molecular Weight: 183.207
• DSSTox Substance ID: DTXSID20702195
• Wikidata: Q82634037

Synonyms:4-ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid;31840-13-8;DTXSID20702195;SB62917;CS-0450940;A21134;4-ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylicacid

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

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 183.08954328
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(NC(=C1C)C(=O)O)CO

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