CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 164 °C |
---|---|
Solubility | Soluble in ethanol, ether, benzene, carbon tetrachloride, organic solvents |
Density | 0.8304 g/cu cm at 20 °C |
Vapor Pressure | 2.75 [mmHg] |
Refractive Index | Index of refraction: 1.4209 at 20 °C/D |
Kovats Retention Index | 941 |
Chemical Classes | Solvents -> Ketones (<C12) |
COMPUTED DESCRIPTORS
Molecular Weight | 128.21 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 4 |
Exact Mass | 128.120115130 g/mol |
Monoisotopic Mass | 128.120115130 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 84.6 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-Methylheptan-3-one is a natural product found in Origanum hypericifolium with data available.