CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless mobile liquid; Fruity aroma |
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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 |
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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.