Tools / Chemistry Lookup / Use Cases / Look Up Chemical Compound Properties

Look Up Chemical Compound Properties

Identify chemical compounds by name, CAS number, or SMILES string and retrieve molecular weight, formula, and structure data.

Tool
Chemistry Lookup icon
Chemistry Lookup

Working with an unfamiliar compound and needing its molecular weight, formula, or InChI key means hunting across multiple chemistry databases, most of which require account registration or show inconsistent data. Researchers, lab technicians, and students waste real time on a task that should take seconds.

The compound_lookup and search_compounds skills query PubChem — one of the most comprehensive publicly available chemistry databases — returning molecular formula, molecular weight, IUPAC name, InChI key, canonical SMILES, and structural identifiers for any compound. Search by name, CAS number, SMILES, or synonym.

Chemistry students verifying compound properties, lab technicians identifying unknown substances, pharmaceutical researchers checking structural data, and educators building chemistry curricula all use this to get authoritative compound data without database subscriptions.

Agent Guides

Claude

  1. Connect ToolRouter to Claude: claude mcp add toolrouter -- npx -y toolrouter-mcp
  2. Ask: "Look up aspirin using chemistry-lookup"
  3. Claude returns molecular formula, weight, SMILES, and structural identifiers
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ChatGPT

  1. Add ToolRouter to ChatGPT using the MCP JSON configuration
  2. Ask: "Look up caffeine using chemistry-lookup"
  3. ChatGPT returns molecular properties and structural data
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Copilot

  1. Add ToolRouter to your Copilot MCP configuration
  2. In Copilot Chat: "Look up ethanol using chemistry-lookup"
  3. Copilot returns structured compound data with all molecular identifiers
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OpenClaw

  1. Connect ToolRouter to OpenClaw: openclaw mcp add toolrouter -- npx -y toolrouter-mcp
  2. Run: "Look up aspirin, ibuprofen, paracetamol, and naproxen using chemistry-lookup"
  3. OpenClaw returns complete compound data for all four
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Related Use Cases

Open Look Up and Compare Periodic Table Elements

Look Up and Compare Periodic Table Elements

Get detailed properties for any element and compare elements side by side across physical, chemical, and electronic characteristics.

Chemistry Lookup icon
Chemistry Lookup
4 agent guides