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About This Item
Linear Formula:
C10H6(CH3)2
CAS Number:
Molecular Weight:
156.22
EC Number:
209-463-5
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1852621
MDL number:
grade
purum
assay
≥95.0% (GC)
bp
269 °C (lit.)
mp
103-104 °C
SMILES string
Cc1cc2ccccc2cc1C
InChI
1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3
InChI key
WWGUMAYGTYQSGA-UHFFFAOYSA-N
Regulatory Information
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Polycyclic aromatic hydrocarbons (PAHs) and alkylated PAHs are known to be major toxic contaminants in spills of petroleum hydrocarbons (oil). Spilled oil undergoes weathering and over time, PAHs go through a series of compositional changes. PAHs can disrupt endocrine functions
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 389390-5G | 04061831970753 |
| 389390-25G | 04061832491752 |