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2396-77-2

2396-77-2 structural image
Product Name: Methyl 2-hexenoate
Formula: C7H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless mobile liquid; Fruity aroma
Boiling Point 168.00 to 170.00 °C. @ 760.00 mm Hg
Solubility very slightly
Density 0.911-0.916
Refractive Index 1.423-1.429
Kovats Retention Index 939 953 947 948

COMPUTED DESCRIPTORS

Molecular Weight 128.17 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 128.083729621 g/mol
Monoisotopic Mass 128.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 106
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl 2E-hexenoate is a fatty acid ester.