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606-23-5

606-23-5 structural image
Product Name: 1,3-Indanedione
Formula: C9H6O2
Synonyms: 1,3-Dioxoindan;1,3-Hydrindenedione, 1,3-Dioxoindane;1,3-Indanedione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Sigma-Aldrich MSDS]
Vapor Pressure 0.00172 [mmHg]
Kovats Retention Index 1358 232.6 232
Chemical Classes Other Classes -> Other Organic Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract 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 146.14 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 146.036779430 g/mol
Monoisotopic Mass 146.036779430 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 186
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

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.