(2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

HCID 536079

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

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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