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1-Methylsulfonylethanesulfonate (HCID 20151812)|Huagongshe
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Compound
1-Methylsulfonylethanesulfonate
HCID
20151812
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Basic information
Standard SMILES
CC(S(C)(=O)=O)S(=O)(=O)[O-]
InChIKey
SSQATBAJIXVRRB-UHFFFAOYSA-M
Molecular formula
C3H7O5S2-
Average molar mass
187.2 g/mol
Names & identifiers
Preferred name
1-Methylsulfonylethanesulfonate
IUPAC
1-methylsulfonylethanesulfonate
Database identifiers
PubChem CID
20151812
Properties
Computed structural properties
XLogP
-1.1
Topological polar surface area
108 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
10
Formal charge
-1
Complexity
271
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Related reactions
1 records
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As solvent
HRID
2141372
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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