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CID 59513355 (HCID 59513355)|Huagongshe
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Compound
CID 59513355
HCID
59513355
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COCCS(=O)(=O)[O-]
InChIKey
KBPHGUKTJKPERJ-UHFFFAOYSA-M
Molecular formula
C3H7O4S-
Average molar mass
139.15 g/mol
Names & identifiers
Preferred name
CID 59513355
IUPAC
2-methoxyethanesulfonate
Database identifiers
PubChem CID
59513355
Properties
Computed structural properties
XLogP
-1.1
Topological polar surface area
74.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
8
Formal charge
-1
Complexity
117
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
100290
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
828389
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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