CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid with a sweet, fruity, peach odour |
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Solubility | slightly soluble in water; miscible with fats |
Density | 0.950- 0.958 |
Refractive Index | 1.459-1.463 |
Kovats Retention Index | 2264 |
COMPUTED DESCRIPTORS
Molecular Weight | 198.30 g/mol |
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XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 198.161979940 g/mol |
Monoisotopic Mass | 198.161979940 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 166 |
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
7-Hexyl-2-oxepanone is a lactone.