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35926-04-6

35926-04-6 structural image
Product Name: 1-HEXEN-3-YL ACETATE
Formula: C8H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 897

COMPUTED DESCRIPTORS

Molecular Weight 142.20 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 142.099379685 g/mol
Monoisotopic Mass 142.099379685 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 118
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-Hexen-3-yl acetate is a natural product found in Agastache rugosa with data available.