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Homecas116-04-1

116-04-1

116-04-1 structural image
Product Name: beta-Humulene
Formula: C15H24
Synonyms: trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1454 1454 1454 1481 1445 1452 1439 1452 1444

COMPUTED DESCRIPTORS

Molecular Weight 204.35 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 204.187800766 g/mol
Monoisotopic Mass 204.187800766 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 276
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(4E,8E)-beta-humulene is a beta-humulene.

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