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634-55-9

634-55-9 structural image
Product Name: ETHYL 2-CYANOACETOACETATE
Formula: C7H9NO3
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H311:Acute toxicity,dermal
H331:Acute toxicity,inhalation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 155.15 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 155.058243149 g/mol
Monoisotopic Mass 155.058243149 g/mol
Topological Polar Surface Area 67.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 213
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ethyl 2-cyanoacetoacetate is an alpha-substituted cyanoacetate ester and an ethyl ester.