# SYNTHORA PubChem Compound Chemical Properties

> 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 2026-09-15).

Resolves a chemical compound name to its PubChem CID, molecular formula, molecular weight, canonical SMILES, and IUPAC name via the PubChem PUG REST API.

## Facts

- Endpoint: POST https://pubchem-compound-properties.hergertsynthora.com/service
- Price: $0.001/call
- Payment: x402
- Status: unknown
- Last checked: 2026-09-15
- Activations on Zero: 0
- Tags: x402
- Canonical page: https://www.zero.xyz/c/synthora-pubchem-compound-chemical-properties-5126a8c7
- Structured record (JSON): https://api.zero.xyz/v1/capabilities/cap_bijrI2KMn9YQHM339glmG

Status and success rate cover calls made through Zero and Zero's own probes. Third-party monitors may report differently.

## How to call it through Zero

Zero handles the 402 payment challenge and records the run. With the Zero CLI installed (`npm i -g @zeroxyz/cli`):

```sh
zero fetch --capability synthora-pubchem-compound-chemical-properties-5126a8c7 -d '<json body>'
```

Example prompt: Can you look up the molecular formula, molecular weight, canonical SMILES, and IUPAC name for aspirin from PubChem?

## When to prefer this

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.

## Known failure modes

- 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

## 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.

## Request schema (JSON Schema)

```json
{
 "type": "object",
 "properties": {
  "compound_name": {
   "type": "string",
   "description": "compound_name"
  }
 }
}
```

## Response schema (JSON Schema)

```json
{
 "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"
  }
 }
}
```

## More

- Live health (JSON, refreshed every minute): https://www.zero.xyz/c/synthora-pubchem-compound-chemical-properties-5126a8c7/health.json
- [Zero catalog index](https://www.zero.xyz/llms.txt)
- [Other services from pubchem-compound-properties.hergertsynthora.com](https://www.zero.xyz/host/pubchem-compound-properties.hergertsynthora.com/llms.txt)