Ethyl 8-(3-nitrophenyl)-8-oxooctanoate
[CAS# 898777-57-6]

Identification

• Name: Ethyl 8-(3-nitrophenyl)-8-oxooctanoate
• Synonyms: ethyl 8-(3-nitrophenyl)-8-oxooctanoate
• Molecular Formula: C₁₆H₂₁NO₅
• Molecular Weight: 307.34
• CAS Registry Number: 898777-57-6
• SMILES: O=[N+]([O-])c1cc(ccc1)C(=O)CCCCCCC(=O)OCC
• InChI: 1S/C16H21NO5/c1-2-22-16(19)11-6-4-3-5-10-15(18)13-8-7-9-14(12-13)17(20)21/h7-9,12H,2-6,10-11H2,1H3
• InChIKey: DMROQKSPOGJSSL-UHFFFAOYSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 406.905°C at 760 mmHg (Cal.)
• Flash point: 151.749°C (Cal.)
• Refractive index: 1.52 (Cal.)