5-Oxo-5-[(2-Oxo-4,6-Dihydrofuro[3,2-c]Pyran-4-Yl)Oxy]Pentanoic Acid
[CAS# 151681-59-3]

Identification

• Name: 5-Oxo-5-[(2-Oxo-4,6-Dihydrofuro[3,2-c]Pyran-4-Yl)Oxy]Pentanoic Acid
• Synonyms: 5-Keto-5-[(2-Keto-4,6-Dihydrofuro[3,2-C]Pyran-4-Yl)Oxy]Valeric Acid; Patulin Hemiglutarate; Pentanedioic Acid, Mono(2,6-Dihydro-4-Oxo-4H-Furo(3,2-C)Pyran-4-Yl) Ester
• Molecular Formula: C₁₂H₁₂O₇
• Molecular Weight: 268.22
• CAS Registry Number: 151681-59-3
• SMILES: C(C(OC1OCC=C2OC(=O)C=C12)=O)CCC(=O)O
• InChI: 1S/C12H12O7/c13-9(14)2-1-3-10(15)19-12-7-6-11(16)18-8(7)4-5-17-12/h4,6,12H,1-3,5H2,(H,13,14)
• InChIKey: QMHRPOVENHUKGH-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 601.531°C at 760 mmHg (Cal.)
• Flash point: 237.226°C (Cal.)