Chemistry: Online Tools

A chemical structure database that can be searched by name or structure.

Provides access to chemical and physical property data for chemical species. The data provided in the site are from collections maintained by the NIST Standard Reference Data Program and outside contributors.

Online interactive demo retrieves data for 25,000 compounds. Requires the use of a CAS number.

Database that is part of the National Institute of Health. Information on small molecules and some larger (mostly biological) molecules. Pulls data from hundreds of different data sources.

From the National Cancer Institute at the NIH. Search in 74 million indexed structures from over 100 databases.

Common Chemistry™ from Chemical Abstracts Service (CAS), a web resource that contains CAS Registry Numbers for approximately 7,900 chemicals of widespread general public interest. Common Chemistry is helpful to non-chemists who know either a name or CAS Registry Number® of a common chemical and want to pair both pieces of information.

"nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties."

"SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds." Provided by the National Institute of Advanced Industrial Science and Technology (AIST), Japan.

Provided by AIST. Combines information produced by multiple AIST projects into one searchable database. This website is in Japanese.

Provides links to a variety of online science resources, including chemistry topics.