3-(2-Acetamido-3-Hydroxy-3-Oxopropyl)Sulfanyl-3-Phenylpropanoic Acid
[CAS# 74032-84-1]

Identification

• Name: 3-(2-Acetamido-3-Hydroxy-3-Oxopropyl)Sulfanyl-3-Phenylpropanoic Acid
• Synonyms: 3-(2-Acetamido-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-3-Phenyl-Propanoic Acid; 3-[(2-Acetamido-3-Hydroxy-3-Oxopropyl)Thio]-3-Phenylpropanoic Acid; 3-[(2-Acetamido-3-Hydroxy-3-Keto-Propyl)Thio]-3-Phenyl-Propionic Acid
• Molecular Formula: C₁₄H₁₇NO₅S
• Molecular Weight: 311.35
• CAS Registry Number: 74032-84-1
• SMILES: C1=C(C(SCC(NC(=O)C)C(=O)O)CC(=O)O)C=CC=C1
• InChI: 1S/C14H17NO5S/c1-9(16)15-11(14(19)20)8-21-12(7-13(17)18)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)
• InChIKey: LTPURIOKVISJDF-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 597.339°C at 760 mmHg (Cal.)
• Flash point: 315.059°C (Cal.)