3,4,5-Trimethoxybenzyl Mesylate

HCID 18464591
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Basic information

Standard SMILES
COc1cc(COS(C)(=O)=O)cc(OC)c1OC
InChIKey
QOJSXPQUMFTJBX-UHFFFAOYSA-N
Molecular formula
C11H16O6S
Average molar mass
276.31 g/mol

Names & identifiers

Preferred name
3,4,5-Trimethoxybenzyl Mesylate
IUPAC
(3,4,5-trimethoxyphenyl)methyl methanesulfonate

Names & synonyms

3,4,5-trimethoxybenzyl methanesulfonateSCHEMBL59371523,4,5-Trimethoxybenzyl MesylateQOJSXPQUMFTJBX-UHFFFAOYSA-N3,4.5-trimethoxy-benzyl mesylateDB-110665

Database identifiers

PubChem CID
18464591

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
79.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
18

Related reactions

7 records
New reaction record

Linked notes

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