2-Acetamido-5-Oxo-5-Phenylpentanoic Acid
[CAS# 2545-56-4]

Identification

• Name: 2-Acetamido-5-Oxo-5-Phenylpentanoic Acid
• Synonyms: 2-Acetamido-5-Oxo-5-Phenyl-Pentanoic Acid; 2-Acetamido-5-Keto-5-Phenyl-Valeric Acid; Nsc19507
• Molecular Formula: C₁₃H₁₅NO₄
• Molecular Weight: 249.27
• CAS Registry Number: 2545-56-4
• SMILES: C1=CC=CC=C1C(CCC(C(=O)O)NC(C)=O)=O
• InChI: 1S/C13H15NO4/c1-9(15)14-11(13(17)18)7-8-12(16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)(H,17,18)
• InChIKey: HYMHQWHWVZXOKO-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 554.626°C at 760 mmHg (Cal.)
• Flash point: 289.227°C (Cal.)