tert-Butyl 2-acetyl-1H-pyrrole-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 2-acetyl-1H-pyrrole-1-carboxylate
• CAS No.: 75400-61-2
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• DSSTox Substance ID: DTXSID70506640
• Wikidata: Q82362483
• Mol file: 75400-61-2.mol

Synonyms:75400-61-2;tert-Butyl 2-acetyl-1H-pyrrole-1-carboxylate;2-acetyl-N-(boc)pyrrole;SCHEMBL3227430;DTXSID70506640;CQQGJQPTVFPJFK-UHFFFAOYSA-N;2-acetyl-1-tert-butoxycarbonylpyrrole

Chemical Property of tert-Butyl 2-acetyl-1H-pyrrole-1-carboxylate

Chemical Property:

• PSA: 48.30000
• LogP: 2.47390
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CN1C(=O)OC(C)(C)C