Methyl 2-Acetamido-3-[(4-Nitrophenyl)Methylsulfonyl]Propanoate
[CAS# 7597-48-0]

Identification

• Name: Methyl 2-Acetamido-3-[(4-Nitrophenyl)Methylsulfonyl]Propanoate
• Synonyms: 2-Acetamido-3-[(4-Nitrophenyl)Methylsulfonyl]Propanoic Acid Methyl Ester; 2-Acetamido-3-(4-Nitrobenzyl)Sulfonyl-Propionic Acid Methyl Ester; Nsc56882
• Molecular Formula: C₁₃H₁₆N₂O₇S
• Molecular Weight: 344.34
• CAS Registry Number: 7597-48-0
• SMILES: C1=CC(=CC=C1C[S](=O)(=O)CC(NC(C)=O)C(=O)OC)[N+]([O-])=O
• InChI: 1S/C13H16N2O7S/c1-9(16)14-12(13(17)22-2)8-23(20,21)7-10-3-5-11(6-4-10)15(18)19/h3-6,12H,7-8H2,1-2H3,(H,14,16)
• InChIKey: XQOGZFVXVSDBIT-UHFFFAOYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 659.291°C at 760 mmHg (Cal.)
• Flash point: 352.527°C (Cal.)