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Structure

Neopentyl glycol dimethylsulfate97

CAS
53555-41-2
Catalog Number
ACM53555412
Category
Polymer/Macromolecule
Molecular Weight
260.329
Molecular Formula
C7H16O6S2

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Specification

Synonyms
NEOPENTYL GLYCOL DIMETHYLSULFATE97
IUPAC Name
(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
Canonical SMILES
CC(C)(COS(=O)(=O)C)COS(=O)(=O)C
InChI Key
MBBDNGMNEVIICT-UHFFFAOYSA-N
Boiling Point
457.8ºC at 760mmHg
Melting Point
69-74ºC
Flash Point
230.7ºC
Density
1.308g/cm³
EC Number
611-011-0
Exact Mass
260.03900
Hazard Statements
Xi
H-Bond Acceptor
6
H-Bond Donor
0
Safety Description
26-36/39
What is the molecular formula of neopentyl glycol dimethylsulfate?

The molecular formula of neopentyl glycol dimethylsulfate is C7H16O6S2.

What is the molecular weight of neopentyl glycol dimethylsulfate?

The molecular weight of neopentyl glycol dimethylsulfate is 260.3 g/mol.

What is the IUPAC name of neopentyl glycol dimethylsulfate?

The IUPAC name of neopentyl glycol dimethylsulfate is (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate.

What is the InChI of neopentyl glycol dimethylsulfate?

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.

What is the InChIKey of neopentyl glycol dimethylsulfate?

The InChIKey of neopentyl glycol dimethylsulfate is MBBDNGMNEVIICT-UHFFFAOYSA-N.

What is the canonical SMILES of neopentyl glycol dimethylsulfate?

The canonical SMILES of neopentyl glycol dimethylsulfate is CC(C)(COS(=O)(=O)C)COS(=O)(=O)C.

What is the CAS number of neopentyl glycol dimethylsulfate?

The CAS number of neopentyl glycol dimethylsulfate is 53555-41-2.

What is the XLogP3-AA value of neopentyl glycol dimethylsulfate?

The XLogP3-AA value of neopentyl glycol dimethylsulfate is 0.3.

How many hydrogen bond donor counts does neopentyl glycol dimethylsulfate have?

Neopentyl glycol dimethylsulfate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does neopentyl glycol dimethylsulfate have?

Neopentyl glycol dimethylsulfate has 6 hydrogen bond acceptor counts.

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