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84-99-1

84-99-1 structural image
Product Name: Xanthoxyletin
Formula: C15H14O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 133 °C
Solubility 40 mg/L @ 25 °C (exp)

COMPUTED DESCRIPTORS

Molecular Weight 258.27 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 258.08920892 g/mol
Monoisotopic Mass 258.08920892 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 437
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

Xanthoxyletin is a member of coumarins. It has a role as a metabolite.