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471-12-5

471-12-5 structural image
Product Name: thujane
Formula: C10H18
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 932

COMPUTED DESCRIPTORS

Molecular Weight 138.25 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 138.140850574 g/mol
Monoisotopic Mass 138.140850574 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 148
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Thujane is a terpenoid fundamental parent and a monoterpene.