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2242-10-6

2242-10-6 structural image
Product Name: 1-OCTEN-3-YL ACETATE
Formula: C21H28O3
Synonyms: 3-Acetoxy octene;Amy vinyl carbinol acetate
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 189.00 to 190.00 °C. @ 760.00 mm Hg
Kovats Retention Index 1097 1094 1089 1089.5 1083 1086 1086 1094 1086 1092 1099 1086 1093 1086 1094 1094 1100 1086 1115 1086

COMPUTED DESCRIPTORS

Molecular Weight 170.25 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 170.130679813 g/mol
Monoisotopic Mass 170.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 141
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-Octen-3-yl acetate is a carboxylic ester.