Chemical Separations Lab
SCHA319
Supplement to Solvent Extraction Lab
As part of your report you should include the structure of the mandelic acid and other
structures that will be in your lab report. This should be inserted into your report and not
pasted on with transparent tape.
Here are some pointers on ways to accomplish this task.
Look up the structure of Mandelic acid and alanine unless of course you know them
already.
Go to the ACD web-site.
www.acdlabs.com and down load ChemSketch.
You could also use ChemDraw on the lab computers.
Sketch the structure and clean up your drawing (ask your lab instructor for help if you
need it). From the Edit menu select all.
Copy the structure to the clipboard and then paste from the clipboard into your Word
formatted lab report.
Here is an example for Gycine.
O
H2N
OH
Figure 1. The structure of glycine drawn in
ACD ChemSketch and pasted into this document.
And of tyrosine
O
H2N
OH
Figure 2. The structure of Tyrosine drawn in ChemSketch
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Also as part of your report you should find a literature value or do a calculation for the
Log P for your compound(s) to compare to the experimental value that you find.
To calculate go to the Interactive Analysis web site. www.logp.com/ and enter the
structure in SMILES notation.
A primer on SMILES.
SMILES allows you to enter chemical structures by entering linear string information.
C is carbon (aliphatic), c is carbon (aromatic), O is oxygen, N is nitrogen.
A number indicates a closure of a ring. The numbers match at the closure point.
() represents a branch on the structure
= before an element is a double bond
Examples
n- octanol is CCCCCCCCO
cyclohexane is C1CCCCC1
benzene is c1cccccc1
toluene is c1cc(C)ccc1 or c1(C)ccccc1
para xylene is c1(C)ccc(C)cc1
isopropanol is CC(O)(C)C
glycine is NCC(=O)O
Also ChemSketch will generate a smiles string. Check your menus.
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