4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic Acid

Base Information

• Chemical Name: 4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic Acid
• CAS No.: 886361-11-1
• Molecular Formula: C13H11NO4
• Molecular Weight: 245.23
• DSSTox Substance ID: DTXSID401233759
• Mol file: 886361-11-1.mol

Synonyms:4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic Acid;886361-11-1;DTXSID401233759;MFCD05663819;AKOS005071321;SB62430;4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylicAcid;8X-0717

Chemical Property of 4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic Acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 245.06880783
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Methoxybenzoyl)-1H-pyrrole-2-carboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C2=CNC(=C2)C(=O)O