CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 216.00 °C. @ 760.00 mm Hg |
---|---|
Kovats Retention Index | 1137 1186 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H227:Flammable liquids H301:Acute toxicity,oral |
Precautionary Statement Codes |
P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 140.20 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 140.02958605 g/mol |
Monoisotopic Mass | 140.02958605 g/mol |
Topological Polar Surface Area | 45.3 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 122 |
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
2-Acetyl-3-methylthiophene is an aromatic ketone.