3-Tert-Butyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
[CAS# 436811-02-8]

Identification

• Name: 3-Tert-Butyl-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: 436811-02-8
• SMILES: [C@@H]13[C@]2(O[C@@H]([C@@H]1C([O-])=O)C=C2)CN(C3=O)C(C)(C)C
• InChI: 1S/C13H17NO4/c1-12(2,3)14-6-13-5-4-7(18-13)8(11(16)17)9(13)10(14)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/p-1/t7-,8+,9-,13-/m1/s1
• InChIKey: CUCXFTMLQYBTDM-LOKDSWTASA-M

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 465.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 235.4±28.7°C (Cal.)