CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 100.00 to 105.00 °C. @ 6.00 mm Hg |
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Density | 1.103-1.109 |
Refractive Index | 1.477-1.482 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral 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 | 172.18 g/mol |
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XLogP3 | 0.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 172.07355886 g/mol |
Monoisotopic Mass | 172.07355886 g/mol |
Topological Polar Surface Area | 60.4 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 195 |
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
Ethyl 2,4-dioxohexanoate is a 3-acylpyruvic acid.