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159847-81-1

159847-81-1 structural image
Product Name: METHYL 2-AMINO-5-CYANOBENZOATE
Formula: C9H8N2O2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301: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 P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 176.17 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 176.058577502 g/mol
Monoisotopic Mass 176.058577502 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 243
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

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