L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (4-oxo-4H-1-benzopyran-2-yl)methyl ester

Base Information

• Chemical Name: L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (4-oxo-4H-1-benzopyran-2-yl)methyl ester
• CAS No.: 59749-45-0
• Molecular Formula: C22H18FNO5
• Molecular Weight: 395.41
• DSSTox Substance ID: DTXSID00208483
• Wikidata: Q76150780

Synonyms:N-(p-Fluorobenzyl)pyroglutamate de chromonyl-2 methyl [French];L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (4-oxo-4H-1-benzopyran-2-yl)methyl ester;1-((4-Fluorophenyl)methyl)-5-oxo-L-proline (4-oxo-4H-1-benzopyran-2-yl)methyl ester;59749-45-0;N-(p-Fluorobenzyl)pyroglutamate de chromonyl-2 methyl;C22H18FNO5;DTXSID00208483;C22-H18-F-N-O5;LS-118948

Chemical Property of L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, (4-oxo-4H-1-benzopyran-2-yl)methyl ester

Chemical Property:

• Vapor Pressure: 6.68E-14mmHg at 25°C
• Boiling Point: 590.1°Cat760mmHg
• Flash Point: 310.7°C
• Density: 1.375g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 395.11690084
• Heavy Atom Count: 29
• Complexity: 685

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1C(=O)OCC2=CC(=O)C3=CC=CC=C3O2)CC4=CC=C(C=C4)F
• Isomeric SMILES: C1CC(=O)N([C@@H]1C(=O)OCC2=CC(=O)C3=CC=CC=C3O2)CC4=CC=C(C=C4)F

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