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The molecular formula of neopentyl glycol dimethylsulfate is C7H16O6S2.
The molecular weight of neopentyl glycol dimethylsulfate is 260.3 g/mol.
The IUPAC name of neopentyl glycol dimethylsulfate is (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate.
The InChI of neopentyl glycol dimethylsulfate is InChI=1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3.
The InChIKey of neopentyl glycol dimethylsulfate is MBBDNGMNEVIICT-UHFFFAOYSA-N.
The canonical SMILES of neopentyl glycol dimethylsulfate is CC(C)(COS(=O)(=O)C)COS(=O)(=O)C.
The CAS number of neopentyl glycol dimethylsulfate is 53555-41-2.
The XLogP3-AA value of neopentyl glycol dimethylsulfate is 0.3.
Neopentyl glycol dimethylsulfate has 0 hydrogen bond donor counts.
Neopentyl glycol dimethylsulfate has 6 hydrogen bond acceptor counts.
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