3-Ethoxycarbonylmethyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
[CAS# 436811-04-0]

Identification

• Name: 3-Ethoxycarbonylmethyl-4-Oxo-10-Oxa-3-Aza-Tricyclo[5.2.1.0(1,5)]Dec-8-Ene-6-Carboxylic Acid
• Molecular Formula: C₁₃H₁₄NO₆
• Molecular Weight: 280.26
• CAS Registry Number: 436811-04-0
• SMILES: [C@@H]13[C@]2(O[C@@H]([C@@H]1C([O-])=O)C=C2)CN(C3=O)CC(OCC)=O
• InChI: 1S/C13H15NO6/c1-2-19-8(15)5-14-6-13-4-3-7(20-13)9(12(17)18)10(13)11(14)16/h3-4,7,9-10H,2,5-6H2,1H3,(H,17,18)/p-1/t7-,9+,10-,13-/m1/s1
• InChIKey: HLRQJAXOZIIORA-ISCDUZKHSA-M

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 538.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.6±30.1°C (Cal.)