L-Proline, 1-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-4-hydroxy-, trans-

Base Information

• Chemical Name: L-Proline, 1-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-4-hydroxy-, trans-
• CAS No.: 64398-32-9
• Molecular Formula: C16H16 Cl N O6
• Molecular Weight: 353.75
• DSSTox Substance ID: DTXSID00982953
• Mol file: 64398-32-9.mol

Synonyms:64398-32-9;L-Proline, 1-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-4-hydroxy-, trans-;DTXSID00982953;1-(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-4-hydroxyproline

Chemical Property of L-Proline, 1-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-4-hydroxy-, trans-

Chemical Property:

• Vapor Pressure: 7.43E-20mmHg at 25°C
• Boiling Point: 687.7°C at 760 mmHg
• Flash Point: 369.7°C
• PSA: 104.14000
• Density: 1.522g/cm³
• LogP: 1.03930
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 353.0666149
• Heavy Atom Count: 24
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(C=C(C=C2Cl)C(=O)N3CC(CC3C(=O)O)O)C(=O)O1
• Isomeric SMILES: CC1CC2=C(C=C(C=C2Cl)C(=O)N3C[C@@H](C[C@H]3C(=O)O)O)C(=O)O1