3-Isopropyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
[CAS# 436811-01-7]

Identification

• Name: 3-Isopropyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
• Molecular Formula: C₁₂H₁₄NO₄
• Molecular Weight: 236.25
• CAS Registry Number: 436811-01-7
• SMILES: [C@@H]13[C@@]2(O[C@H]([C@H]1C([O-])=O)C=C2)CN(C3=O)C(C)C
• InChI: 1S/C12H15NO4/c1-6(2)13-5-12-4-3-7(17-12)8(11(15)16)9(12)10(13)14/h3-4,6-9H,5H2,1-2H3,(H,15,16)/p-1/t7-,8+,9+,12-/m0/s1
• InChIKey: PHAYITCIRICDCI-HAYRHPOISA-M

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 470.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.3±28.7°C (Cal.)