4-(2,2-Dimethoxyethyl)-4-Azatricyclo[5.2.1.0^2,6]Dec-8-Ene-3,5-Dione
[CAS# 434318-28-2]

Identification

• Name: 4-(2,2-Dimethoxyethyl)-4-Azatricyclo[5.2.1.0^2,6]Dec-8-Ene-3,5-Dione
• Synonyms: 2-(2,2-dimethoxyethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione; 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE,2-(2,2-DIMETHOXYETHYL)-3A,4,7,7A-TETRAHYDRO-; ChemDiv3_002628
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.28
• CAS Registry Number: 434318-28-2
• SMILES: O=C2N(C(=O)C3C1/C=C\C(C1)C23)CC(OC)OC
• InChI: 1S/C13H17NO4/c1-17-9(18-2)6-14-12(15)10-7-3-4-8(5-7)11(10)13(14)16/h3-4,7-11H,5-6H2,1-2H3
• InChIKey: VVRYFXRFCKXZRW-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 404.539°C at 760 mmHg (Cal.)
• Flash point: 198.458°C (Cal.)
• Refractive index: 1.542 (Cal.)