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79-68-5

79-68-5 structural image
Product Name: 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one
Formula: C14H22O
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COMPUTED DESCRIPTORS

Molecular Weight 206.32 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 206.167065321 g/mol
Monoisotopic Mass 206.167065321 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 297
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

gamma-Irone is a natural product found in Iris sibirica with data available.

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