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1002-35-3

1002-35-3 structural image
Product Name: 1.3.7-OCTATRIENE
Formula: C8H12
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 805 808

COMPUTED DESCRIPTORS

Molecular Weight 108.18 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 4
Exact Mass 108.093900383 g/mol
Monoisotopic Mass 108.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 88.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Octa-1,3,7-triene is a natural product found in Carica papaya with data available.