7-Oxo-4-Tert-Butyl-8-Oxa-9-Thiabicyclo[4.3.0]Nona-2,4,10-Triene-2-Carboxylic Acid
[CAS# 69105-26-6]

Identification

• Name: 7-Oxo-4-Tert-Butyl-8-Oxa-9-Thiabicyclo[4.3.0]Nona-2,4,10-Triene-2-Carboxylic Acid
• Synonyms: 5-Tert-Butyl-3-Keto-2,1-Benzoxathiole-7-Carboxylic Acid; Nsc312843
• Molecular Formula: C₁₂H₁₂O₄S
• Molecular Weight: 252.28
• CAS Registry Number: 69105-26-6
• SMILES: C2=C(C(C)(C)C)C=C1C(OSC1=C2C(O)=O)=O
• InChI: 1S/C12H12O4S/c1-12(2,3)6-4-7(10(13)14)9-8(5-6)11(15)16-17-9/h4-5H,1-3H3,(H,13,14)
• InChIKey: AVWXGPQGUNJQBF-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 411.278°C at 760 mmHg (Cal.)
• Flash point: 202.534°C (Cal.)