4-(Methylcarbonyloxy)phenethyl methanesulfonate

HCID 21704989
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Basic information

Standard SMILES
CC(=O)Oc1ccc(CCOS(C)(=O)=O)cc1
InChIKey
DQLLYAGGWZTFPM-UHFFFAOYSA-N
Molecular formula
C11H14O5S
Average molar mass
258.29 g/mol
Monoisotopic mass
258.05619472

Names & identifiers

Preferred name
4-(Methylcarbonyloxy)phenethyl methanesulfonate
IUPAC
[4-(2-methylsulfonyloxyethyl)phenyl] acetate

Names & synonyms

SCHEMBL8000907DQLLYAGGWZTFPM-UHFFFAOYSA-N4-(methylcarbonyloxy)phenethyl methanesulfonate

Database identifiers

PubChem CID
21704989

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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