1-Oxo-3,4,4a,7,8,8a-Hexahydroisochromene-5-Carboxylic Acid
[CAS# 7252-26-8]

Identification

• Name: 1-Oxo-3,4,4a,7,8,8a-Hexahydroisochromene-5-Carboxylic Acid
• Synonyms: 1-Keto-3,4,4A,7,8,8A-Hexahydroisochromene-5-Carboxylic Acid; Nsc47049
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.20
• CAS Registry Number: 7252-26-8
• SMILES: O=C1OCCC2C1CCC=C2C(O)=O
• InChI: 1S/C10H12O4/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h2,6,8H,1,3-5H2,(H,11,12)
• InChIKey: KDURBVWVKPMAQB-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 436.192°C at 760 mmHg (Cal.)
• Flash point: 179.701°C (Cal.)