(3E)-7,8-Dihydroxy-3-[(4-Methoxyphenyl)Methylidene]Chroman-4-One
[CAS# 124166-26-3]

Identification

• Name: (3E)-7,8-Dihydroxy-3-[(4-Methoxyphenyl)Methylidene]Chroman-4-One
• Synonyms: (3E)-7,8-Dihydroxy-3-[(4-Methoxyphenyl)Methylene]Chroman-4-One; (3E)-7,8-Dihydroxy-3-[(4-Methoxyphenyl)Methylene]-4-Chromanone; (3E)-7,8-Dihydroxy-3-(4-Methoxybenzylidene)Chroman-4-One
• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.29
• CAS Registry Number: 124166-26-3
• SMILES: C1=CC(=C(O)C2=C1C(=O)C(/CO2)=C/C3=CC=C(OC)C=C3)O
• InChI: 1S/C17H14O5/c1-21-12-4-2-10(3-5-12)8-11-9-22-17-13(15(11)19)6-7-14(18)16(17)20/h2-8,18,20H,9H2,1H3/b11-8+
• InChIKey: VXIWIIHDWPBCIM-DHZHZOJOSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 580.438°C at 760 mmHg (Cal.)
• Flash point: 219.727°C (Cal.)

References

• (1): S. Chantrapromma, S. Boonsri, H.-K. Fun, S. Anjum and A. Kanjana-opas. 2,3-Dihydro-7,8-dihydroxy-3-[(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one, Acta Cryst. (2006). E62, o1254-o1256