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485-72-3

485-72-3 structural image
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-).