CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear light brown liquid; [Sigma-Aldrich MSDS] |
---|---|
Vapor Pressure | 45.5 [mmHg] |
Kovats Retention Index | 590 590 |
Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H225:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 69.06 g/mol |
---|---|
XLogP3 | 0.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 69.021463719 g/mol |
Monoisotopic Mass | 69.021463719 g/mol |
Topological Polar Surface Area | 26 Ų |
Heavy Atom Count | 5 |
Formal Charge | 0 |
Complexity | 30.1 |
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
Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.