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2415-85-2

2415-85-2 structural image
Product Name: N-(4-Methylphenyl)-3-oxobutanamide
Formula: C11H13NO2
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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.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 191.23 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 191.094628657 g/mol
Monoisotopic Mass 191.094628657 g/mol
Topological Polar Surface Area 46.2 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 217
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