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471-01-2

471-01-2 structural image
Product Name: 3,5,5-trimethylcyclohex-3-en-1-one
Formula: C9H14O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1042.5 1044 1044

COMPUTED DESCRIPTORS

Molecular Weight 138.21 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 138.104465066 g/mol
Monoisotopic Mass 138.104465066 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 187
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

3,5,5-Trimethyl-3-cyclohexen-1-one is a member of cyclohexenones.