CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid/swet, apple-like odour |
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Solubility | soluble in alcohool, most fixed oils; insolouble- water |
Density | 0.874-0.876 |
Refractive Index | 1.429-1.435 |
COMPUTED DESCRIPTORS
Molecular Weight | 184.27 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 7 |
Exact Mass | 184.146329876 g/mol |
Monoisotopic Mass | 184.146329876 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 160 |
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
cis-3-Hexenyl 3-methylbutanoate is a natural product found in Matricaria matricarioides and Matricaria discoidea with data available.