74830
Octane Fraction
purum
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About This Item
PubChem Substance ID:
UNSPSC Code:
12190000
EC Number:
203-892-1
MDL number:
Beilstein/REAXYS Number:
1696875
grade
purum
refractive index
n20/D 1.397
bp
124-128 °C
SMILES string
CCCCCCCC
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Michael H Abraham et al.
European journal of medicinal chemistry, 44(2), 885-890 (2008-07-08)
The convulsant activity of 48 compounds studied by Eger et al. has been analyzed using an Abraham solvation equation. Four compounds identified by Eger et al. as more potent than expected were similarly identified, and for the remaining 44 compounds
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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