2-(1H-pyrrole-3-carbonyl)butanoate

Base Information

• Chemical Name: 2-(1H-pyrrole-3-carbonyl)butanoate
• CAS No.: 887411-89-4
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.19
• DSSTox Substance ID: DTXSID10693104
• Mol file: 887411-89-4.mol

Synonyms:1H-Pyrrole-3-propanoicacid, b-oxo-, ethyl ester;DTXSID10693104;2-(1H-pyrrole-3-carbonyl)butanoate

Chemical Property of 2-(1H-pyrrole-3-carbonyl)butanoate

Chemical Property:

• PSA: 59.16000
• LogP: 1.15060
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.066068181
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

≥95% ^*data from raw suppliers

3-Oxo-3-(1H-pyrrol-3-yl)-propionicacidethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)C1=CNC=C1)C(=O)[O-]