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35740-18-2

35740-18-2 structural image
Product Name: 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one
Formula: C16H14O5
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2462.2 2456

COMPUTED DESCRIPTORS

Molecular Weight 286.28 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 286.08412354 g/mol
Monoisotopic Mass 286.08412354 g/mol
Topological Polar Surface Area 61.2 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 471
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Oxyimperatorin is a natural product found in Ferula sumbul, Angelica dahurica, and Ferula moschata with data available.