Ethyl 4-(4-methoxy-3-nitrophenyl)-4-oxobutanoate
[CAS# 898758-89-9]

Identification

• Name: Ethyl 4-(4-methoxy-3-nitrophenyl)-4-oxobutanoate
• Synonyms: Ethyl 4-(4-methoxy-3-nitrophenyl)-4-oxobutyrate
• Molecular Formula: C₁₃H₁₅NO₆
• Molecular Weight: 281.26
• CAS Registry Number: 898758-89-9
• SMILES: COc1ccc(cc1[N+]([O-])=O)C(=O)CCC(=O)OCC
• InChI: 1S/C13H15NO6/c1-3-20-13(16)7-5-11(15)9-4-6-12(19-2)10(8-9)14(17)18/h4,6,8H,3,5,7H2,1-2H3
• InChIKey: ZWCYYJDMELCTCR-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 429.249°C at 760 mmHg (Cal.)
• Flash point: 184.636°C (Cal.)
• Refractive index: 1.529 (Cal.)