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18103-42-9

18103-42-9 structural image
Product Name: 5,7-DIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Formula: C18H16O7
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 272 - 274 °C
Collision Cross Section 185.59 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]

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 P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 344.3 g/mol
XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 344.08960285 g/mol
Monoisotopic Mass 344.08960285 g/mol
Topological Polar Surface Area 94.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 506
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

3',4',5'-O-trimethyltricetin is a trimethoxyflavone that is the 3',4',5'-tri-O-methyl ether of tricetin. It is a trimethoxyflavone, a dihydroxyflavone and a 3',5'-dimethoxyflavone. It is functionally related to a tricetin. It is a conjugate acid of a 3',4',5'-O-trimethyltricetin(1-).