5,7-Dihydroxy-3-[4-Hydroxy(²H₄)Phenyl]-4H-Chromen-4-One
[CAS# 187960-08-3]

Identification

• Name: 5,7-Dihydroxy-3-[4-Hydroxy(²H₄)Phenyl]-4H-Chromen-4-One
• Synonyms: GENISTEIN-2',3',5',6'-D4; Genistein-d4 (4-hydroxyphenyl-2,3,5,6-d4)
• Molecular Formula: C₁₅H₆D₄O₅
• Molecular Weight: 274.26
• CAS Registry Number: 187960-08-3
• SMILES: [2H]c3c([2H])c(O)c([2H])c([2H])c3C=1C(=O)c2c(OC=1)cc(O)cc2O
• InChI: 1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i1D,2D,3D,4D
• InChIKey: TZBJGXHYKVUXJN-RHQRLBAQSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 555.505°C at 760 mmHg (Cal.)
• Flash point: 217.064°C (Cal.)
• Refractive index: 1.732 (Cal.)