The Sigma-Aldrich Catalogue covers more than 40,000 chemical products and is particularly useful as a starting point because entries include molecular and structural formulas, basic physical data, MSDS data and cross-references to Beilstein, Merck, and Feiser's Reagents for Organic Synthesis.
This data collection gives names, synonyms, structures, line and molecular formulae, physical constants, spectral data (IR, Raman, NMR, UV, Mass), CAS RNs and Beilstein references.
Ref QD257.7.H36 1994
PHYSPROP contains chemical formulas, names and up to eight physical properties for about 41,000 chemical substances. Search by CAS number, name or SMILES. Some values are estimated rather than experimental. (This is a demonstration database.)
A nine-volume set with supplements providing data, derived from the primary literature, on organic compounds, including physical data, structure, CAS Registry Number, and references to preparation literature (designated "synth"), etc. Indexes provide access by name/synonym, molecular formula, heteroatom, and CAS Registry Number.
Ref QD246.D5 1996