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526-86-3

526-86-3 structural image
Product Name: 2,3-dimethyl-2,5-cyclohexadiene-1,4 dione
Formula: C8H8O2
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CHEMICAL AND PHYSICAL PROPERTIES

Vapor Pressure 0.02 [mmHg]
Kovats Retention Index 1182
Chemical Classes Other Classes -> Aromatic Ketones

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 136.15 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 136.052429494 g/mol
Monoisotopic Mass 136.052429494 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 230
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