Enter a Chemical Name, Formula, or Identifier into the Chemical Compound Search, refine with Search Type and Component Type filters to pull up a compound's Molecular Formula, Molecular Weight, CAS Number, and SMILES notation.
Compound Name
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Molecular Formula
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Molecular Weight
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CAS Registry Number
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SMILES
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IUPAC Name
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You can search using chemical names (common or systematic), molecular formulas, CAS registry numbers, SMILES notation, or InChI strings. The auto-detect feature will identify the type of identifier you've entered.
A CAS Registry Number (CAS RN) is a unique numerical identifier assigned by the Chemical Abstracts Service to every chemical substance. It provides an unambiguous way to identify chemical compounds.
SMILES (Simplified Molecular Input Line Entry System) and InChI (International Chemical Identifier) are text-based representations of molecular structures that allow computers to process and search chemical compounds systematically.
Single-component structures contain only one type of molecule, while multi-component structures include mixtures, salts, or compounds with multiple distinct molecular entities.
Isotopically labeled compounds contain atoms with non-standard isotopes, often used in research for tracking molecular pathways. You can filter to include or exclude these specialized variants.
Yes, the search covers both organic compounds (carbon-based) and inorganic compounds including metals, salts, acids, and other chemical substances across all areas of chemistry.
Results typically include the compound name, molecular formula, molecular weight, CAS registry number, SMILES notation, IUPAC name, and synonyms when available.
The database covers commonly used chemicals, regulated substances, and compounds relevant to research and education. Some proprietary or highly specialized compounds may not be included.