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2-(Cyclohexanecarbonyloxy)ethanesulfonate (HCID 59360396)|Huagongshe
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Compound
2-(Cyclohexanecarbonyloxy)ethanesulfonate
HCID
59360396
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
O=C(OCCS(=O)(=O)[O-])C1CCCCC1
InChIKey
KAFJKLTWVWTXNN-UHFFFAOYSA-M
Molecular formula
C9H15O5S-
Average molar mass
235.28 g/mol
Names & identifiers
Preferred name
2-(Cyclohexanecarbonyloxy)ethanesulfonate
IUPAC
2-(cyclohexanecarbonyloxy)ethanesulfonate
Database identifiers
PubChem CID
59360396
Properties
Computed structural properties
XLogP
1
Topological polar surface area
91.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
Formal charge
-1
Complexity
284
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Related reactions
1 records
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As product
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As solvent
HRID
806274
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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