But-2-Enedioic Acid, 1-Thiophen-2-Yl-7,8-Dioxa-3-Azabicyclo[3.2.1]Octane
[CAS# 84508-93-0]

Identification

• Name: But-2-Enedioic Acid, 1-Thiophen-2-Yl-7,8-Dioxa-3-Azabicyclo[3.2.1]Octane
• Synonyms: But-2-Enedioic Acid; 1-(2-Thienyl)-7,8-Dioxa-3-Azabicyclo[3.2.1]Octane; 5-(2-Thienyl)-6,8-Dioxa-3-Azabicyclo(3.2.1)Octane (Z)-2-Butenedioate (1:1); 6,8-Dioxa-3-Azabicyclo(3.2.1)Octane, 5-(2-Thienyl)-, (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₁₃H₁₅NO₆S
• Molecular Weight: 313.32
• CAS Registry Number: 84508-93-0
• SMILES: C1=C(SC=C1)C23OC(CO2)CNC3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C9H11NO2S.C4H4O4/c1-2-8(13-3-1)9-6-10-4-7(12-9)5-11-9;5-3(6)1-2-4(7)8/h1-3,7,10H,4-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: INCGPSFDWSRLAK-WLHGVMLRSA-N

Properties

• Boiling point: 322.3°C at 760 mmHg (Cal.)
• Flash point: 148.7°C (Cal.)