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

Base Information

• Chemical Name: L-Alanine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-
• CAS No.: 64398-37-4
• Molecular Formula: C14H14 Cl N O5
• Molecular Weight: 311.7177
• DSSTox Substance ID: DTXSID00982958
• Mol file: 64398-37-4.mol

Synonyms:L-Alanine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;64398-37-4;L-Alanine, N-[(5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-;C14H14ClNO5;DTXSID00982958;N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]alanine

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

Chemical Property:

• Vapor Pressure: 1.64E-12mmHg at 25°C
• Boiling Point: 540.5°Cat760mmHg
• Flash Point: 280.7°C
• Density: 1.39g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 311.0560502
• Heavy Atom Count: 21
• Complexity: 455

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