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Instant-use add-on functions for the Wolfram Language

Function Repository Resource:

 CommonChemistryLookup (1.0.0) current version: 1.0.1 »

Source Notebook

Look up a substance's CAS Registry Number in the CAS Common Chemistry database

Contributed by: Jan Mangaldan

ResourceFunction["CommonChemistryLookup"][cn]

retrieves information for the CAS Registry Number cn in the CAS Common Chemistry database.

Details

Chemical Abstracts Service (CAS) Registry Numbers are numeric identifiers that can contain from 4 up to 10 digits, divided by hyphens into three parts. The third part is a check digit.
The resource function ValidCASNumberQ can be used to validate a CAS Registry Number.
ResourceFunction["CommonChemistryLookup"] also accepts Entity objects with the "Chemical" type.
ResourceFunction["CommonChemistryLookup"] returns an Association.

Examples

Basic Examples (1) 

Look up a CAS number given as a string:

In[1]:=
ResourceFunction["CommonChemistryLookup"]["62-44-2"]
Out[1]=

Scope (2) 

Look up a CAS number given as an ExternalIdentifier:

In[2]:=
ResourceFunction["CommonChemistryLookup"][ ExternalIdentifier["CASRegistryNumber", "139755-83-2"]]
Out[2]=

Look up a chemical Entity:

In[3]:=
ResourceFunction["CommonChemistryLookup"][ Entity["Chemical", "Fluoxetine"]]
Out[3]=

Version History

  • 1.0.1 – 04 March 2024
  • 1.0.0 – 08 December 2022

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License Information