4-Phenyl-3a,4,7,7alpha-Tetrahydro-2-Benzofuran-1,3-Dione
[CAS# 2679-19-8]

Identification

• Name: 4-Phenyl-3a,4,7,7alpha-Tetrahydro-2-Benzofuran-1,3-Dione
• Synonyms: 4-Phenyl-3A,4,7,7A-Tetrahydroisobenzofuran-1,3-Dione; 4-Phenyl-3A,4,7,7A-Tetrahydroisobenzofuran-1,3-Quinone; 4-Cyclohexene-1,2-Dicarboxylic Anhydride, 3-Phenyl-
• Molecular Formula: C₁₄H₁₂O₃
• Molecular Weight: 228.25
• CAS Registry Number: 2679-19-8
• SMILES: C3=C(C2C1C(C(OC1=O)=O)CC=C2)C=CC=C3
• InChI: 1S/C14H12O3/c15-13-11-8-4-7-10(12(11)14(16)17-13)9-5-2-1-3-6-9/h1-7,10-12H,8H2
• InChIKey: SISNVYGRWPGDFF-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 409.831°C at 760 mmHg (Cal.)
• Flash point: 200.996°C (Cal.)