3-Ethyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid
[CAS# 163035-51-6]

Identification

• Name: 3-Ethyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid
• Molecular Formula: C₁₁H₁₂NO₄
• Molecular Weight: 222.22
• CAS Registry Number: 163035-51-6
• SMILES: [C@H]13[C@]2(O[C@@H]([C@@H]1C([O-])=O)C=C2)CN(C3=O)CC
• InChI: 1S/C11H13NO4/c1-2-12-5-11-4-3-6(16-11)7(10(14)15)8(11)9(12)13/h3-4,6-8H,2,5H2,1H3,(H,14,15)/p-1/t6-,7+,8+,11-/m1/s1
• InChIKey: MIHCRRSFJZJEPF-OFHVYEONSA-M

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 478.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 242.9±28.7°C (Cal.)