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30434-65-2

30434-65-2 structural image
Product Name: 3,4,4-TRIMETHYLCYCLOPENT-2-ENONE
Formula: C8H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1064

COMPUTED DESCRIPTORS

Molecular Weight 124.18 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 124.088815002 g/mol
Monoisotopic Mass 124.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 175
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

3,4,4-Trimethyl-2-cyclopenten-1-one is a natural product found in Nicotiana tabacum with data available.