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481-53-8

481-53-8 structural image
Product Name: Tangeretin
Formula: C20H20O7
Synonyms: 4′,5,6,7,8-Pentamethoxyflavone;5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;NSC 53909;NSC 618905;Ponkanetin
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 154 °C
Collision Cross Section 187.9 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Kovats Retention Index 3162.9

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 372.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 372.12090297 g/mol
Monoisotopic Mass 372.12090297 g/mol
Topological Polar Surface Area 72.4 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 540
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

Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite.