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81282-82-8

81282-82-8 structural image
Product Name: 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID
Formula: C12H12N2O2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302: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.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 216.24 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 216.089877630 g/mol
Monoisotopic Mass 216.089877630 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
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