3-[5-(Benzyloxy)-2-Nitrophenyl]-2-Oxopropanoic Acid
[CAS# 22424-59-5]

Identification

• Name: 3-[5-(Benzyloxy)-2-Nitrophenyl]-2-Oxopropanoic Acid
• Synonyms: 3-[2-nitro-5-(phenylmethoxy)phenyl]-2-oxopropanoic acid; 3-[5-(Benzyloxy)-2-nitrophenyl]-2-oxopropanoic acid #; 5-BENZYLOXY-2-NITROPHENYLPYRUVIC ACID
• Molecular Formula: C₁₆H₁₃NO₆
• Molecular Weight: 315.28
• CAS Registry Number: 22424-59-5
• SMILES: O=C(O)C(=O)Cc2cc(OCc1ccccc1)ccc2[N+]([O-])=O
• InChI: 1S/C16H13NO6/c18-15(16(19)20)9-12-8-13(6-7-14(12)17(21)22)23-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,20)
• InChIKey: SPYNICUJKSZDMS-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 527.059°C at 760 mmHg (Cal.)
• Flash point: 272.555°C (Cal.)
• Refractive index: 1.62 (Cal.)