Basic information
- Standard SMILES
COc1cc(CCOS(C)(=O)=O)cc(OC)c1OC- InChIKey
CNCVUPUJXVURKY-UHFFFAOYSA-N- Molecular formula
- C12H18O6S
- Average molar mass
- 290.33 g/mol
Names & identifiers
- Preferred name
- 2-(3,4,5-Trimethoxyphenyl)ethyl methanesulfonate
- IUPAC
- 2-(3,4,5-trimethoxyphenyl)ethyl methanesulfonate
Names & synonyms
SCHEMBL5937186CNCVUPUJXVURKY-UHFFFAOYSA-N2-(3,4,5-trimethoxyphenyl)ethyl methanesulfonate
Database identifiers
- PubChem CID
- 11616258
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
4 records
Compound notes
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