485-72-3
Product Name:
Formononetin
Formula:
C16H12O4
Synonyms:
Formonetin;Formononetol;7-Hydroxy-3-(4?-methoxyphenyl)-4H-benzopyran-4-one;7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one;7-Hydroxy-3-(4-methoxyphenyl)chromone
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 256 - 258 °C |
| Collision Cross Section | 176.14 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2869.4 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 268.26 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.07355886 g/mol |
| Monoisotopic Mass | 268.07355886 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 395 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Formononetin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. It has a role as a phytoestrogen and a plant metabolite. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It is functionally related to a daidzein. It is a conjugate acid of a formononetin(1-).
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