SMILES string
OC1CCCCCCC1
assay
99%
refractive index
n20/D 1.486 (lit.)
bp
106-108 °C/22 mmHg (lit.)
mp
14-15 °C (lit.)
density
0.974 g/mL at 25 °C (lit.)
法规信息
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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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