CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless liquid; odour remniscient of mushroom with a characterisitic garlic undertone |
---|---|
Density | 0.997 (22°) |
Refractive Index | 1.470-1.485 |
COMPUTED DESCRIPTORS
Molecular Weight | 118.20 g/mol |
---|---|
XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 118.04523611 g/mol |
Monoisotopic Mass | 118.04523611 g/mol |
Topological Polar Surface Area | 42.4 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 61.1 |
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
1-(Methylthio)-2-butanone is a ketone.