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13679-72-6

13679-72-6 structural image
Product Name: 2-Acetyl-3-methylthiophene
Formula: C7H8OS
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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.