Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds)
Query CAS Common Chemistry for compound names, CAS Registry Numbers®, molecular formula, mass, SMILES, InChI, and experimental properties. Covers nearly 500,000 compounds (CC BY-NC 4.0).
API access: Request a free API key at https://www.cas.org/services/commonchemistry-api. The script works without a key for public endpoints; if CAS requires a key, set CAS_API_KEY or use ~/.scienceclaw/cas_config.json.
aspirin*), CAS RN, SMILES, or InChI/InChIKeyreferences/cas-common-chemistry-api.mdpython3 {baseDir}/scripts/cas_search.py --query "aspirin"
python3 {baseDir}/scripts/cas_search.py --cas "50-78-2"
python3 {baseDir}/scripts/cas_search.py --query "atrazin*"
python3 {baseDir}/scripts/cas_search.py --query "caffeine" --format json
| Parameter | Description | Default |
|---|---|---|
--query | Name, SMILES, or InChI (name supports trailing *) | - |
--cas | CAS Registry Number (e.g. 50-78-2) | - |
--max-results | Max search results | 10 |
--format | summary, detailed, json | summary |
CAS_API_KEY or config file if CAS requires authentication