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149506-93-4

149506-93-4 structural image
Product Name: 3-(4-Cyanophenyl)benzoic acid
Formula: C14H9NO2
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SAFETY INFORMATION

Signal word Warning
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.
P321:Specific treatment (see … on this label).
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 223.23 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 223.063328530 g/mol
Monoisotopic Mass 223.063328530 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 322
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