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2284-31-3

2284-31-3 structural image
Product Name: PRATENSEIN
Formula: C16H12O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 272 - 273 °C

COMPUTED DESCRIPTORS

Molecular Weight 300.26 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 300.06338810 g/mol
Monoisotopic Mass 300.06338810 g/mol
Topological Polar Surface Area 96.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 462
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

Pratensein is a member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 5, 7, and 3' positions, and by a methoxy group at the 4' position. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It is a conjugate acid of a pratensein(1-).