Research Guides: Property Information and Structure Representation: Properties & Structures

Property Databases

SciFinder This link opens in a new window
Some property data is reported in the SciFinder database along with references to primary literature reporting those values. You can search by substance name or structure.

ChemIDplus
Search the properties of nearly 400,000 chemicals. Includes structure search feature. ChemIDplus is part of the TOXNET database and records are updated daily.
Chemspider
Chemical structure database provides access to over 65 million structures from hundreds of data sources. Search by chemical name or structure. User-friendly search and retrieval functions make this a nice site to find, view, and download data.
PubChem
Database of compounds, substances, and bioassays, focusing on the biological activities of small molecules. Published by the National Library of Medicine (NLM).
Common Chemistry (CAS)
Contains CAS Registry file information for ~7900 general interest chemicals and 118 chemical elements. Searchable by chemical name, synonym, or CAS Registry Number. Provides basic data and Wikipedia link, when available.
International Critical Tables of Numeric Data, Physics, Chemistry and Technology
Originally published from 1926 - 1930 for the National Research Council, this book is a major reference source used by those involved in chemistry, physics, and engineering. It features an abundance of critical data on inorganic and organic compounds, and pure substances. It includes physical, thermodynamic, mechanical, and other key properties.
Visual Elements Periodic Table (Royal Society of Chemistry)
The Royal Society of Chemistry's interactive periodic table features history, alchemy, podcasts, videos, and data trends across the periodic table. Enormously informative and entertaining.

Books

CRC Handbook of Chemistry and Physics
One of the most popular reference books for tabulated physical and chemical data.

CRC handbook, 97th edition
Online access to the 97th edition.

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Chemical Structure Search

SciFinder This link opens in a new window
Among it's various other offerings, Scifinder lets you both search for and draw chemical structures. You can draw a structure using the drawing editor, search a structure that you drew in another drawing application, or automatically draw a structure by starting with a CAS Registry Number or SMILES or InChI string.

Chemspider
Chemical structure database provides access to over 65 million structures from hundreds of data sources. Search by chemical name or structure. User-friendly search and retrieval functions make this a nice site to find, view, and download data.

Structure Drawing Tools

PubChem Sketcher
From NCBI, this is a platform-independent structure drawing tool. It allows you to translate into InChI/SMILES/etc., and export to image and chemical information files (i.e. MDL, ChemDraw, ISIS, etc.).