3,4-Dimethoxyphenethyl methanesulfonate

HCID 11207682
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Basic information

Standard SMILES
COc1ccc(CCOS(C)(=O)=O)cc1OC
InChIKey
LDAATKVDDDGXGG-UHFFFAOYSA-N
Molecular formula
C11H16O5S
Average molar mass
260.31 g/mol

Names & identifiers

Preferred name
3,4-Dimethoxyphenethyl methanesulfonate
IUPAC
2-(3,4-dimethoxyphenyl)ethyl methanesulfonate

Names & synonyms

3,4-dimethoxyphenethyl methanesulfonate2-(3,4-dimethoxyphenyl)ethyl methanesulfonate75803-23-5SCHEMBL2959929SCHEMBL31490068LDAATKVDDDGXGG-UHFFFAOYSA-NDB-135955

Database identifiers

PubChem CID
11207682
Nikkaji
J1.854.547K

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17

Related reactions

4 records
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Compound notes

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