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PubChem Scraper: Compound Properties by Name

Try for free

Look up chemical compound properties by name via the public PubChem API: formula, weight, SMILES and IUPAC name. No login, no proxy, no browser.

Pricing

Pay per usage

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0.0

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Developer

Naimur Hasan

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Total users

Monthly active users

4 days ago

Last modified

PubChem Scraper

Looks up chemical compound properties by name through the public PubChem PUG REST API. No login, no proxy, no browser.

Input

Field	Type	Notes
`compoundNames`	array	Required. Chemical names. Default `["aspirin", "caffeine", "glucose"]`.

Output

One row per compound: searchedName, cid, molecularFormula, molecularWeight, smiles, iupacName, xLogP, pubchemUrl.

Notes

PubChem renamed CanonicalSMILES to ConnectivitySMILES. Requesting the old name still works — the API quietly returns the new one — so reading the response by the name you asked for yields undefined. Both spellings are handled.
Molecular weight is returned as a string and converted to a number.
A name with no match returns HTTP 404; it is logged and skipped, and the run only fails if nothing resolved.
Only the first matching compound is taken per name. Ambiguous common names can map to several CIDs, and PubChem orders them by relevance.

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