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15645-11-1

15645-11-1 structural image
Product Name: cis-Khellactone
Formula: C14H14O5
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COMPUTED DESCRIPTORS

Molecular Weight 262.26 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 262.08412354 g/mol
Monoisotopic Mass 262.08412354 g/mol
Topological Polar Surface Area 76 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 416
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

(+)-cis-Khellactone is a natural product found in Ammi visnaga, Musineon divaricatum, and Angelica keiskei with data available.