But-2-Enedioic Acid, 1-(3-Chlorophenyl)-7,8-Dioxa-3-Azabicyclo[3.2.1]Octane
[CAS# 84508-98-5]

Identification

• Name: But-2-Enedioic Acid, 1-(3-Chlorophenyl)-7,8-Dioxa-3-Azabicyclo[3.2.1]Octane
• Synonyms: 5-(3-Chlorophenyl)-6,8-Dioxa-3-Azabicyclo(3.2.1)Octane (Z)-2-Butenedioate (1:1); 6,8-Dioxa-3-Azabicyclo(3.2.1)Octane, 5-(3-Chlorophenyl)-, (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₁₅H₁₆ClNO₆
• Molecular Weight: 341.75
• CAS Registry Number: 84508-98-5
• SMILES: C1=C(Cl)C=CC=C1C23OC(CO2)CNC3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C11H12ClNO2.C4H4O4/c12-9-3-1-2-8(4-9)11-7-13-5-10(15-11)6-14-11;5-3(6)1-2-4(7)8/h1-4,10,13H,5-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: TYWYGFDGDJCUIK-WLHGVMLRSA-N

Properties

• Boiling point: 349.8°C at 760 mmHg (Cal.)
• Flash point: 165.4°C (Cal.)