[(E,2S)-2-Hydroxy-7-Methoxy-4,7-Dioxohept-5-Enyl] Benzoate
[CAS# 135626-21-0]

Identification

• Name: [(E,2S)-2-Hydroxy-7-Methoxy-4,7-Dioxohept-5-Enyl] Benzoate
• Synonyms: [(E,2S)-2-Hydroxy-7-Methoxy-4,7-Dioxo-Hept-5-Enyl] Benzoate; Benzoic Acid [(E,2S)-2-Hydroxy-7-Methoxy-4,7-Dioxohept-5-Enyl] Ester; Benzoic Acid [(E,2S)-2-Hydroxy-4,7-Diketo-7-Methoxy-Hept-5-Enyl] Ester
• Molecular Formula: C₁₅H₁₆O₆
• Molecular Weight: 292.29
• CAS Registry Number: 135626-21-0
• SMILES: [C@@H](O)(COC(=O)C1=CC=CC=C1)CC(=O)\C=C\C(OC)=O
• InChI: 1S/C15H16O6/c1-20-14(18)8-7-12(16)9-13(17)10-21-15(19)11-5-3-2-4-6-11/h2-8,13,17H,9-10H2,1H3/b8-7+/t13-/m0/s1
• InChIKey: DLQZZFILZYWBJV-GWJCSSMESA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 481.521°C at 760 mmHg (Cal.)
• Flash point: 178.263°C (Cal.)