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87827-55-2

87827-55-2 structural image
Product Name: alismol
Formula: C15H24O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1625

COMPUTED DESCRIPTORS

Molecular Weight 220.35 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 220.182715385 g/mol
Monoisotopic Mass 220.182715385 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 326
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

CID 15934381 is a natural product found in Xylopia emarginata, Melampodium divaricatum, and other organisms with data available.