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Molecular Formula & Weight

science.chem.formula
Read-onlyIdempotent

Retrieve molecular formula and weight for any compound using its name, CAS number, or SMILES.

Instructions

Get molecular formula and molecular weight for any compound by name, CAS number, or SMILES. Returns formula (e.g. "C9H8O4" for aspirin) and weight in daltons (e.g. 180.157). Accepts any chemical identifier format (NCI CACTUS)

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
identifierYesChemical identifier — compound name (e.g. "ibuprofen"), CAS number (e.g. "15687-27-1"), or SMILES string. Returns molecular formula and weight

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultNoTool response payload. Shape varies per tool — consult the tool description and inputSchema. May be an object, array, string, or number depending on the upstream provider response.
errorNoPresent only when the call failed. Includes error code, message, request_id, and any provider-specific extras.
Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

Annotations already indicate read-only, non-destructive, idempotent behavior. Description adds example output (formula and weight) but doesn't disclose rate limits, data source specifics, or failure modes beyond what annotations cover.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

Two concise sentences that front-load the key purpose and input formats, with an illustrative example. No wasted words.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness4/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

For a simple lookup tool with an output schema (not shown but present), the description covers input formats and return fields adequately. Slight lack of scope notes (e.g., compound scope) keeps it from a 5.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Input schema covers 100% of parameters with a useful description. Description adds examples and mentions the data source (NCI CACTUS), but the schema already provides clear semantics. Baseline 3 is appropriate.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose4/5

Does the description clearly state what the tool does and how it differs from similar tools?

Title and description clearly state the tool returns molecular formula and weight from various identifiers. Examples are given, but no explicit differentiation from siblings like 'science.chem.names' or 'science.chem.resolve'.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines3/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

Description mentions acceptable identifiers (name, CAS, SMILES) but does not guide when to use this vs. other chemistry tools, or any prerequisites or limitations.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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