606-23-5
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] |
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Vapor Pressure | 0.00172 [mmHg] |
Kovats Retention Index | 1358 232.6 232 |
Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.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.