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Calculated Data
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Solution Master Species
Solution Species
SOLUTION_MASTER_SPECIES
Properties
Value
Element
Thiol_oooobg
Species
Thiol_oooobg-1
Alkalinity
0.0
GFW_or_Formula
C4H7O2S
GFW_for_Element
119.016675464
PubChem CID
18050
IUPAC name
methyl 3-sulfanylpropanoate
SMILES
COC(=O)CC[S]
Coordinates
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Reference
PLian2018
Note