L-Valine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-

Base Information

• Chemical Name: L-Valine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-
• CAS No.: 64398-35-2
• Molecular Formula: C16H18 Cl N O5
• Molecular Weight: 339.77
• DSSTox Substance ID: DTXSID80982956

Synonyms:64398-35-2;L-Valine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;DTXSID80982956;N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]valine

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

Chemical Property:

• Vapor Pressure: 1.02E-12mmHg at 25°C
• Boiling Point: 545.2°C at 760 mmHg
• Flash Point: 283.5°C
• Density: 1.319g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 339.0873504
• Heavy Atom Count: 23
• Complexity: 495

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2=C(C=C(C=C2Cl)C(=O)NC(C(C)C)C(=O)O)C(=O)O1
• Isomeric SMILES: CC1CC2=C(C=C(C=C2Cl)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)O1

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