[2-(4-Methoxyphenyl)ethyl]methanesulfonate

HCID 20025614
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Basic information

Standard SMILES
COc1ccc(CCCS(=O)(=O)[O-])cc1
InChIKey
GEXBFBQNDJJFSP-UHFFFAOYSA-M
Molecular formula
C10H13O4S-
Average molar mass
229.27 g/mol

Names & identifiers

Preferred name
[2-(4-Methoxyphenyl)ethyl]methanesulfonate
IUPAC
3-(4-methoxyphenyl)propane-1-sulfonate

Names & synonyms

GEXBFBQNDJJFSP-UHFFFAOYSA-M[2-(4-methoxyphenyl)ethyl]methanesulfonate

Database identifiers

PubChem CID
20025614

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
74.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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