Ethyl (2S)-5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Ethyl (2S)-5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate
• CAS No.: 76529-79-8
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.22000
• DSSTox Substance ID: DTXSID20552697
• Nikkaji Number: J1.833.227B
• Wikidata: Q82433063

Synonyms:76529-79-8;Ethyl (2S)-5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;DTXSID20552697

Chemical Property of Ethyl (2S)-5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylate

Chemical Property:

• Boiling Point: 70 - 72 °C (0.4 mmHg)
• PSA: 47.89000
• LogP: 0.58250
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC(CC1)C(=O)OCC
• Isomeric SMILES: CCOC1=N[C@@H](CC1)C(=O)OCC

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