(3aa,6a,7a,7ab)-1,2,3,6,7,7a-Hexahydro-1-oxo-2-(2-phenylethyl)-3a,6-Epoxy-3aH-isoindole-7-carboxylic acid
[CAS# 77960-22-6]

Identification

• Name: (3aa,6a,7a,7ab)-1,2,3,6,7,7a-Hexahydro-1-oxo-2-(2-phenylethyl)-3a,6-Epoxy-3aH-isoindole-7-carboxylic acid
• Molecular Formula: C₁₇H₁₆NO₄
• Molecular Weight: 298.32
• CAS Registry Number: 77960-22-6
• SMILES: [C@@H]13[C@@]2(O[C@H]([C@@H]1C([O-])=O)C=C2)CN(C3=O)CCC4=CC=CC=C4
• InChI: 1S/C17H17NO4/c19-15-14-13(16(20)21)12-6-8-17(14,22-12)10-18(15)9-7-11-4-2-1-3-5-11/h1-6,8,12-14H,7,9-10H2,(H,20,21)/p-1/t12-,13-,14+,17-/m0/s1
• InChIKey: MPBLVPMGVIUHFH-ZJOBFFGXSA-M

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 568.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 297.3±30.1°C (Cal.)