Basic information
- Standard SMILES
CC(COc1ccccc1)OS(C)(=O)=O- InChIKey
IOWZBBQPEHGLET-UHFFFAOYSA-N- Molecular formula
- C10H14O4S
- Average molar mass
- 230.28 g/mol
- Monoisotopic mass
- 230.0612801
Names & identifiers
- Preferred name
- 1-Phenoxy-2-propyl methane sulfonate
- IUPAC
- 1-phenoxypropan-2-yl methanesulfonate
Names & synonyms
SCHEMBL4851435IOWZBBQPEHGLET-UHFFFAOYSA-N1-Phenoxy-2-propyl methane sulfonate
Database identifiers
- PubChem CID
- 21887418
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
3 records
Compound notes
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