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99742-10-6

99742-10-6 structural image
Product Name: 4-Hexadecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
Formula: C23H36O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2937.7

COMPUTED DESCRIPTORS

Molecular Weight 360.5 g/mol
XLogP3 6.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 15
Exact Mass 360.26644501 g/mol
Monoisotopic Mass 360.26644501 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 378
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one is a natural product found in Zingiber officinale with data available.