3-Isobutyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
[CAS# 436855-63-9]

Identification

• Name: 3-Isobutyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
• Molecular Formula: C₁₃H₁₆NO₄
• Molecular Weight: 250.27
• CAS Registry Number: 436855-63-9
• SMILES: [C@@H]13[C@@]2(O[C@H]([C@@H]1C([O-])=O)C=C2)CN(C3=O)CC(C)C
• InChI: 1S/C13H17NO4/c1-7(2)5-14-6-13-4-3-8(18-13)9(12(16)17)10(13)11(14)15/h3-4,7-10H,5-6H2,1-2H3,(H,16,17)/p-1/t8-,9-,10+,13-/m0/s1
• InChIKey: NBINFMFHODHQHK-XHSYRHOGSA-M

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 475.545°C at 760 mmHg (Cal.)
• Flash point: 241.401°C (Cal.)