Completing data — usually done within a minute
Basic information
- CAS
26322-82-7- Standard SMILES
CC1(C)c2cc(OS(C)(=O)=O)ccc2OC1O- InChIKey
KNHJTPLSWOEZHZ-UHFFFAOYSA-N- Molecular formula
- C11H14O5S
- Average molar mass
- 258.29 g/mol
- Monoisotopic mass
- 258.05619455
Names & identifiers
- Preferred name
- (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
- IUPAC
- (2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
Names & synonyms
26322-82-7(2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonateDTXSID201028504RefChem:1049695DTXCID401514076Ethofumesate-2-hydroxy2-Hydroxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate2-Hydroxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate2-Hydroxy ethofumesateSCHEMBL11260239ethofumesate-2-hydroxy (NC 8493)NS00067318
Show more names
2,3-dihydro-2-hydroxy-3,3-dimethyl-5-benzofuranyl methanesulphonate2,3-dihydro-3,3-dimethyl-2-hydroxybenzofuran-5-yl methanesulphonate2-hydroxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate2,3-Dihydro-2-hydroxy-3,3-dimethylbenzofuran-5-yl methane sulphonate2-hydroxy- 2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate2-Hydroxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate #2,5-Benzofurandiol, 2,3-dihydro-3,3-dimethyl-, 5-methanesulfonate, (.+/-.)-
Database identifiers
- CAS
26322-82-7- PubChem CID
- 536079
- DTXSID
DTXSID201028504- Nikkaji
- J1.751.736H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
49 records
Compound notes
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