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42590-00-1

42590-00-1 structural image
Product Name: Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
Formula: C9H9NO6
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SAFETY INFORMATION

Signal word Warning
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.
P271:Use only outdoors or in a well-ventilated area.

COMPUTED DESCRIPTORS

Molecular Weight 227.17 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 227.04298701 g/mol
Monoisotopic Mass 227.04298701 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 276
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