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7784-98-7

7784-98-7 structural image
Product Name: 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one
Formula: C14H22O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to yellow liquid
Solubility insoluble in water; soluble in alcohol
Density 0.931-0.938
Refractive Index 1.493-1.499

COMPUTED DESCRIPTORS

Molecular Weight 206.32 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
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 284
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl-delta-ionone is a sesquiterpenoid.