8-Hydroxy-3-(1-Hydroxy-3-Oxo-1-Butenyl)-7-Methoxy-4-Oxo-4H-1-Benzopyran-5-Carboxylic Acid Methyl Ester
[CAS# 69448-97-1]

Identification

• Name: 8-Hydroxy-3-(1-Hydroxy-3-Oxo-1-Butenyl)-7-Methoxy-4-Oxo-4H-1-Benzopyran-5-Carboxylic Acid Methyl Ester
• Synonyms: Methyl 8-Hydroxy-3-[(Z)-1-Hydroxy-3-Oxo-But-1-Enyl]-7-Methoxy-4-Oxo-Chromene-5-Carboxylate; 8-Hydroxy-3-[(Z)-1-Hydroxy-3-Oxobut-1-Enyl]-7-Methoxy-4-Oxo-5-Chromenecarboxylic Acid Methyl Ester; 8-Hydroxy-3-[(Z)-1-Hydroxy-3-Keto-But-1-Enyl]-4-Keto-7-Methoxy-Chromene-5-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₆H₁₄O₈
• Molecular Weight: 334.28
• CAS Registry Number: 69448-97-1
• SMILES: C1=C(OC)C(=C2C(=C1C(=O)OC)C(C(=CO2)C(=C/C(=O)C)/O)=O)O
• InChI: 1S/C16H14O8/c1-7(17)4-10(18)9-6-24-15-12(13(9)19)8(16(21)23-3)5-11(22-2)14(15)20/h4-6,18,20H,1-3H3/b10-4-
• InChIKey: BFEBUAKVHSKRTL-WMZJFQQLSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 540.264°C at 760 mmHg (Cal.)
• Flash point: 200.012°C (Cal.)