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26685-82-5

26685-82-5 structural image
Product Name: (+)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID
Formula: C14H17NO3
Synonyms: (1R,2S)-2-(+)-Benzoamido-cyclohexane carboxylic acid;(1S,2R)-2-(Benzoylamino)-cyclohexanecarboxylic acid;(1S-cis)-2-(Benzoylamino)-cyclohexanecarboxylic acid
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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.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 247.29 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 247.12084340 g/mol
Monoisotopic Mass 247.12084340 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 310
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes