4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 339011-93-7
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.16196
• Hs Code.: 2933990090
• European Community (EC) Number: 834-520-1
• DSSTox Substance ID: DTXSID10377371
• Wikidata: Q82166571
• Mol file: 339011-93-7.mol

Synonyms:4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid;339011-93-7;4-acetyl-1-methylpyrrole-2-carboxylic acid;MFCD00665069;4-Acetyl-1-methyl-1H-pyrrole-2-carboxylicacid;SCHEMBL2361283;1H-Pyrrole-2-carboxylic acid, 4-acetyl-1-methyl- (9CI);DTXSID10377371;AKOS000118425;SB62472;CS-0309049;EN300-15370;7H-020;J-514282;Z135296094;4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid, AldrichCPR

Chemical Property of 4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• Melting Point: 187～189℃
• Boiling Point: 366.3±27.0 °C(Predicted)
• PKA: 3.88±0.41(Predicted)
• PSA: 59.30000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 0.92590
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

4-acetyl-1-methyl-1H-pyrrole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN(C(=C1)C(=O)O)C