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Compound not available
Title
Question

The compound 2-methoxy ethanol is not available in the DWSIM list of compounds. With advanced search using the name, CAS ID, the compound is available but not able to add in the package.


DWSIM 01-06-18, 10:38 p.m. Hemanand

Answers:

0

You can add the compound by following the below mentioned steps:

  1. Go to File >> New Compound Creator Study
  2. Go to Compound >> Import Data from Online Sources >> DDB UNIFAC/MODFAC Structure Database
  3. Enter CAS ID: 109-86-4 and click Next
  4. Once the collected data information is available, click import
  5. Once imported, go to identification tab and enter the CAS Number
  6. Enter the SMILES as "OCCOC" and click on Smiles Renderer
  7. Enter Name
  8. Once again click on Compound >> Export Data to JSON File
  9. Name and Save the JSON File
  10. Now open the Simulation settings and Import the JSON File under Compounds.

11-06-18, 12:59 p.m. Priyam_Nayak


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