Daidzein

• CAS: 486-66-8
• Catalog Number: ACM486668
• Category: Other Products
• Molecular Weight: 254.24
• Molecular Formula: C15H10O4
• Synonyms: 4',7-Dihydroxy-isoflavon
• IUPAC Name: 7-Hydroxy-3-(4-hydroxyphenyl)chromen-4-one
• Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
• InChI: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
• InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
• Boiling Point: 317.45 °C
• Melting Point: 315-323 °C
• Flash Point: 201.2 °C
• Density: 1.1629 g/cm³
• Solubility: Insoluble in water
• Appearance: White to off-white powder
• Storage: 2-8 °C
• Complexity: 382
• Exact Mass: 254.05790880
• Hazard Statements: Xi
• Monoisotopic Mass: 254.05790880
• pKa: 7.01±0.20(Predicted)
• Refractive Index: 1.4300
• Safety Description: 24-26-37/39
• Solubility In Water: Insoluble
• Supplemental Hazard Statements: H335-H315-H319
• Symbol: GHS07
• Topological Polar Surface Area: 66.8 Ų

Custom Q&A

What is the PubChem CID for daidzein?

The PubChem CID for daidzein is 5281708.

What is the molecular formula of daidzein?

The molecular formula of daidzein is C15H10O4.

What is the molecular weight of daidzein?

The molecular weight of daidzein is 254.24 g/mol.

What is the IUPAC name of daidzein?

The IUPAC name of daidzein is 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.

What is the InChI of daidzein?

The InChI of daidzein is InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H.

What is the CAS number of daidzein?

The CAS number of daidzein is 486-66-8.

What is the UNII of daidzein?

The UNII of daidzein is 6287WC5J2L.

What is the ChEMBL ID of daidzein?

The ChEMBL ID of daidzein is CHEMBL8145.

What is the NCI Thesaurus Code for daidzein?

The NCI Thesaurus Code for daidzein is C1060.

What is the XLogP3-AA value of daidzein?

The XLogP3-AA value of daidzein is 2.5.