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SYNTHORA PubChem Compound Chemical Properties
x402
SYNTHORA PubChem Compound Chemical Properties is a paid API for AI agents from pubchem-compound-properties.hergertsynthora.com, paid per call via x402, $0.001/call, status unknown (last checked 2026-09-13).
Resolves a chemical compound name to its PubChem CID, molecular formula, molecular weight, canonical SMILES, and IUPAC name via the PubChem PUG REST API.
Price / call$0.001
Success—
StatusUnknown
How this service works
Returns core cheminformatics properties for a compound by name from PubChem pubchem.ncbi.nlm.nih.gov/rest/pug: CID, MolecularFormula, MolecularWeight, canonical SMILES and IUPACName. Autonomous agents and agent-to-agent (A2A) chemistry, drug-discovery and knowledge-graph pipelines resolve trivial names into structures and identifiers. Ranking surface: chemical name to canonical structure record. First 3 calls FREE per wallet — send header X-WALLET: 0x<addr>. No charge on upstream failure.
Output
A JSON object containing the compound's IUPAC name, canonical SMILES string, molecular weight (as a string, e.g. '180.16'), molecular formula (e.g. 'C9H8O4'), sourced from PubChem's PUG REST API, along with a provenance URL pointing to the exact PubChem query used.
Example use cases
Drug discovery pipeline structure resolution
“I'm building a drug discovery pipeline — can you resolve 'ibuprofen' to its canonical SMILES string and molecular formula so I can feed it into my downstream docking workflow?”
Knowledge graph chemical entity enrichment
“I need to enrich my knowledge graph with chemical properties — look up the PubChem CID, molecular weight, and IUPAC name for serotonin.”
Chemistry homework compound identification
“What's the IUPAC name and molecular formula for caffeine according to PubChem?”
Technical details
Endpoint
POSThttps://pubchem-compound-properties.hergertsynthora.com/serviceWhen to prefer
Choose this endpoint when you need to resolve a human-readable chemical or drug name into standardized cheminformatics identifiers (SMILES, IUPAC name, molecular formula, molecular weight, CID) backed by PubChem's authoritative database. Ideal for autonomous agent pipelines that need to bridge trivial names to canonical structures for drug discovery, knowledge graph construction, or cheminformatics workflows. Prefer this over manual PubChem API calls when operating in a paid-per-call agent environment with x402 micropayment support.
Side effects
- Compound name not recognized by PubChem returns an error or empty result
- Ambiguous or misspelled compound names may resolve to the wrong compound
- Network timeout or PubChem API unavailability causes downstream failure
- Non-English or highly obscure trivial names may not resolve
- SMILES field may be empty in edge cases as seen in the example response
Input
Schema · Request body
| Field | Type | Description |
|---|---|---|
| compound_name | string | compound_name |
Output
Schema · Response
{
"type": "json",
"example": {
"ok": true,
"niche": "pubchem-compound-properties",
"result": {
"iupac_name": "2-acetyloxybenzoic acid",
"canonical_smiles": "",
"molecular_weight": "180.16",
"molecular_formula": "C9H8O4"
},
"provenance": {
"url": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IUPACName/JSON",
"source": "PubChem Compound Chemical Properties"
}
}
}Tags
x402
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