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1136-45-4

1136-45-4 structural image
Product Name: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
Formula: C11H9NO3
Synonyms: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H313:Acute toxicity,dermal
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.
P330:Rinse mouth.

COMPUTED DESCRIPTORS

Molecular Weight 203.19 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 203.058243149 g/mol
Monoisotopic Mass 203.058243149 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 238
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