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13361-32-5

13361-32-5 structural image
Product Name: Allyl cyanoacetate
Formula: C6H7NO2
Synonyms: Allyl 2-cyanoacetate;Allyl cyanoacetate;Cyanoacetic acid allyl ester
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 125.13 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 125.047678466 g/mol
Monoisotopic Mass 125.047678466 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 154
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