CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with powerful, herbaceous, fruity, mildly spicy odour |
|---|---|
| Boiling Point | 94.00 to 96.00 °C. @ 9.00 mm Hg |
| Solubility | very slightly |
| Density | 0.945-0.949 |
| Refractive Index | 1.444-1.447 |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.21 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 g/mol |
| Monoisotopic Mass | 144.115029749 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 99.4 |
| 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
3-(Hydroxymethyl)-2-heptanone is an aliphatic alcohol.